CID 76610

Benzenamine, 4-[(2-chloro-4-nitrophenyl)azo]-n-phenyl-

Structural Information

Molecular Formula
C18H13ClN4O2
SMILES
C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])Cl
InChI
InChI=1S/C18H13ClN4O2/c19-17-12-16(23(24)25)10-11-18(17)22-21-15-8-6-14(7-9-15)20-13-4-2-1-3-5-13/h1-12,20H
InChIKey
RJXMVDQBCHMJTE-UHFFFAOYSA-N
Compound name
4-[(2-chloro-4-nitrophenyl)diazenyl]-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

352.0727 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.07998 181.0
[M+Na]+ 375.06192 186.7
[M-H]- 351.06542 192.6
[M+NH4]+ 370.10652 193.4
[M+K]+ 391.03586 177.4
[M+H-H2O]+ 335.06996 175.4
[M+HCOO]- 397.07090 207.3
[M+CH3COO]- 411.08655 216.8
[M+Na-2H]- 373.04737 189.4
[M]+ 352.07215 182.0
[M]- 352.07325 182.0
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.