CID 14570

4-chloro-n-phenylaniline

Structural Information

Molecular Formula
C12H10ClN
SMILES
C1=CC=C(C=C1)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H10ClN/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H
InChIKey
VPRIGCVCJPKVFZ-UHFFFAOYSA-N
Compound name
4-chloro-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

197
Patents

203.05017 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.05745 141.1
[M+Na]+ 226.03939 149.6
[M-H]- 202.04289 147.8
[M+NH4]+ 221.08399 160.7
[M+K]+ 242.01333 144.2
[M+H-H2O]+ 186.04743 134.9
[M+HCOO]- 248.04837 162.7
[M+CH3COO]- 262.06402 154.7
[M+Na-2H]- 224.02484 149.5
[M]+ 203.04962 141.4
[M]- 203.05072 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