CID 77479

Einecs 223-396-9

Structural Information

Molecular Formula
C16H12ClN5O4S
SMILES
C1=CC2=C(C=CC(=C2N=NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)N)C(=C1)S(=O)(=O)N
InChI
InChI=1S/C16H12ClN5O4S/c17-12-8-9(22(23)24)4-7-14(12)20-21-16-11-2-1-3-15(27(19,25)26)10(11)5-6-13(16)18/h1-8H,18H2,(H2,19,25,26)
InChIKey
QWMXREGTJHCYOA-UHFFFAOYSA-N
Compound name
6-amino-5-[(2-chloro-4-nitrophenyl)diazenyl]naphthalene-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

405.02985 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.03713 186.3
[M+Na]+ 428.01907 193.4
[M-H]- 404.02257 195.4
[M+NH4]+ 423.06367 197.7
[M+K]+ 443.99301 184.0
[M+H-H2O]+ 388.02711 182.6
[M+HCOO]- 450.02805 205.2
[M+CH3COO]- 464.04370 225.3
[M+Na-2H]- 426.00452 194.8
[M]+ 405.02930 188.3
[M]- 405.03040 188.3
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