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
2
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]+ 351.06435 177.5
[M+Na]+ 373.04629 186.4
[M-H]- 349.04979 186.3
[M+NH4]+ 368.09089 192.7
[M+K]+ 389.02023 175.7
[M+H-H2O]+ 333.05433 173.0
[M+HCOO]- 395.05527 200.4
[M+CH3COO]- 409.07092 212.2
[M+Na-2H]- 371.03174 187.1
[M]+ 350.05652 180.3
[M]- 350.05762 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.