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

180
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 142.2
[M+Na]+ 226.03939 158.6
[M+NH4]+ 221.08399 153.0
[M+K]+ 242.01333 148.9
[M-H]- 202.04289 148.7
[M+Na-2H]- 224.02484 154.0
[M]+ 203.04962 146.9
[M]- 203.05072 146.9
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