CID 6425221

N-phenyl-2-chloroaniline

Structural Information

Molecular Formula
C12H10ClN
SMILES
C1=CC=C(C=C1)NC2=CC=CC=C2Cl
InChI
InChI=1S/C12H10ClN/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H
InChIKey
CASDLXCHUTYPAO-UHFFFAOYSA-N
Compound name
2-chloro-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

203.05017 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.057446 141.1
[M+Na]+ 226.039388 149.6
[M-H]- 202.042894 147.8
[M+NH4]+ 221.083993 160.7
[M+K]+ 242.013328 144.2
[M+H-H2O]+ 186.047430 134.9
[M+HCOO]- 248.048371 162.7
[M+CH3COO]- 262.064021 154.7
[M+Na-2H]- 224.024836 149.5
[M]+ 203.04962142 141.4
[M]- 203.05071858 141.4
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