CID 80847

Dtxsid1064322

Structural Information

Molecular Formula
C17H13ClN2O4S
SMILES
CC1=C(C=C(C=C1Cl)S(=O)(=O)O)N=NC2=CC=C(C3=CC=CC=C32)O
InChI
InChI=1S/C17H13ClN2O4S/c1-10-14(18)8-11(25(22,23)24)9-16(10)20-19-15-6-7-17(21)13-5-3-2-4-12(13)15/h2-9,21H,1H3,(H,22,23,24)
InChIKey
UHSVKBLZRFZWDV-UHFFFAOYSA-N
Compound name
3-chloro-5-[(4-hydroxynaphthalen-1-yl)diazenyl]-4-methylbenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

376.02844 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.03572 182.0
[M+Na]+ 399.01766 192.6
[M-H]- 375.02116 190.6
[M+NH4]+ 394.06226 196.2
[M+K]+ 414.99160 186.6
[M+H-H2O]+ 359.02570 175.2
[M+HCOO]- 421.02664 197.1
[M+CH3COO]- 435.04229 218.1
[M+Na-2H]- 397.00311 187.8
[M]+ 376.02789 189.1
[M]- 376.02899 189.1
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.