CID 7416

Nitrobenzene

Structural Information

Molecular Formula
C6H5NO2
SMILES
C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
InChIKey
LQNUZADURLCDLV-UHFFFAOYSA-N
Compound name
nitrobenzene
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

4566
References

119980
Patents

123.03203 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.03931 119.4
[M+Na]+ 146.02125 133.7
[M+NH4]+ 141.06585 129.0
[M+K]+ 161.99519 129.8
[M-H]- 122.02475 123.5
[M+Na-2H]- 144.00670 127.9
[M]+ 123.03148 122.5
[M]- 123.03258 122.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe