CID 135850928

Chromate(3-), bis(5-chloro-3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1h-pyrazol-4-yl)azo)-2-hydroxybenzenesulfonato(3-))-, disodium hydrogen

Structural Information

Molecular Formula
C17H15ClN4O2
SMILES
CC1=CC(=CC(=C1O)N=NC2=C(NN(C2=O)C3=CC=CC=C3)C)Cl
InChI
InChI=1S/C17H15ClN4O2/c1-10-8-12(18)9-14(16(10)23)19-20-15-11(2)21-22(17(15)24)13-6-4-3-5-7-13/h3-9,21,23H,1-2H3
InChIKey
JKTFCZKDYFSFAA-UHFFFAOYSA-N
Compound name
4-[(5-chloro-2-hydroxy-3-methylphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1349
Patents

342.08835 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.09563 179.7
[M+Na]+ 365.07757 191.0
[M-H]- 341.08107 188.3
[M+NH4]+ 360.12217 193.0
[M+K]+ 381.05151 183.9
[M+H-H2O]+ 325.08561 170.3
[M+HCOO]- 387.08655 200.5
[M+CH3COO]- 401.10220 214.9
[M+Na-2H]- 363.06302 181.8
[M]+ 342.08780 183.6
[M]- 342.08890 183.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.