CID 172060

67969-73-7

Structural Information

Molecular Formula
C16H12ClN3O3S
SMILES
C1=CC=C(C(=C1)N=NC2=C3C=C(C=CC3=C(C=C2)N)S(=O)(=O)O)Cl
InChI
InChI=1S/C16H12ClN3O3S/c17-13-3-1-2-4-16(13)20-19-15-8-7-14(18)11-6-5-10(9-12(11)15)24(21,22)23/h1-9H,18H2,(H,21,22,23)
InChIKey
TWPWJABCQICZJD-UHFFFAOYSA-N
Compound name
5-amino-8-[(2-chlorophenyl)diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

361.02878 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.036056 178.7
[M+Na]+ 384.017998 188.8
[M-H]- 360.021504 187.8
[M+NH4]+ 379.062603 193.4
[M+K]+ 399.991938 182.6
[M+H-H2O]+ 344.026040 171.5
[M+HCOO]- 406.026981 195.8
[M+CH3COO]- 420.042631 218.6
[M+Na-2H]- 382.003446 185.4
[M]+ 361.02823142 183.7
[M]- 361.02932858 183.7
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

patents stripe