CID 2757425

3-(3-chlorophenyl)aniline

Structural Information

Molecular Formula
C12H10ClN
SMILES
C1=CC(=CC(=C1)N)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C12H10ClN/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H,14H2
InChIKey
GXRVJJBIJVHXOO-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

203.05017 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.05745 141.7
[M+Na]+ 226.03939 151.2
[M-H]- 202.04289 148.3
[M+NH4]+ 221.08399 161.4
[M+K]+ 242.01333 145.4
[M+H-H2O]+ 186.04743 135.8
[M+HCOO]- 248.04837 162.7
[M+CH3COO]- 262.06402 155.5
[M+Na-2H]- 224.02484 148.3
[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

No literature data available for this compound.

Patent stripe

patents stripe