CID 89958

N-(4-chlorophenyl)-2-nitroaniline

Structural Information

Molecular Formula
C12H9ClN2O2
SMILES
C1=CC=C(C(=C1)NC2=CC=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C12H9ClN2O2/c13-9-5-7-10(8-6-9)14-11-3-1-2-4-12(11)15(16)17/h1-8,14H
InChIKey
RCLKXSIRDRWUGX-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-2-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

248.03525 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.04253 151.7
[M+Na]+ 271.02447 159.0
[M-H]- 247.02797 158.3
[M+NH4]+ 266.06907 168.3
[M+K]+ 286.99841 150.2
[M+H-H2O]+ 231.03251 149.7
[M+HCOO]- 293.03345 174.1
[M+CH3COO]- 307.04910 188.3
[M+Na-2H]- 269.00992 159.8
[M]+ 248.03470 151.3
[M]- 248.03580 151.3
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