CID 116535

Einecs 264-657-7

Structural Information

Molecular Formula
C18H11ClN4O2
SMILES
C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)N=NC4=C(C=C(C=C4)[N+](=O)[O-])Cl
InChI
InChI=1S/C18H11ClN4O2/c19-15-10-12(23(24)25)6-8-18(15)22-21-11-5-7-17-14(9-11)13-3-1-2-4-16(13)20-17/h1-10,20H
InChIKey
SZVQEOMBVJZINC-UHFFFAOYSA-N
Compound name
9H-carbazol-3-yl-(2-chloro-4-nitrophenyl)diazene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

350.05707 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.064346 177.5
[M+Na]+ 373.046288 186.4
[M-H]- 349.049794 186.3
[M+NH4]+ 368.090893 192.7
[M+K]+ 389.020228 175.7
[M+H-H2O]+ 333.054330 173.0
[M+HCOO]- 395.055271 200.4
[M+CH3COO]- 409.070921 212.2
[M+Na-2H]- 371.031736 187.1
[M]+ 350.05652142 180.3
[M]- 350.05761858 180.3
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

No patent data available for this compound.