CID 105931

67875-18-7

Structural Information

Molecular Formula
C22H15ClN4O5S
SMILES
C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=C(C=C(C=C4)[N+](=O)[O-])Cl)C=CC=C3S(=O)(=O)O
InChI
InChI=1S/C22H15ClN4O5S/c23-17-13-15(27(28)29)9-10-19(17)26-25-18-11-12-20(24-14-5-2-1-3-6-14)22-16(18)7-4-8-21(22)33(30,31)32/h1-13,24H,(H,30,31,32)
InChIKey
SLDJZETWBOJOOK-UHFFFAOYSA-N
Compound name
8-anilino-5-[(2-chloro-4-nitrophenyl)diazenyl]naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.04517 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.05245 206.6
[M+Na]+ 505.03439 212.0
[M-H]- 481.03789 217.8
[M+NH4]+ 500.07899 214.1
[M+K]+ 521.00833 202.2
[M+H-H2O]+ 465.04243 201.0
[M+HCOO]- 527.04337 223.6
[M+CH3COO]- 541.05902 235.0
[M+Na-2H]- 503.01984 216.1
[M]+ 482.04462 210.2
[M]- 482.04572 210.2
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.