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

58
Patents

203.05017 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.057446 141.7
[M+Na]+ 226.039388 151.2
[M-H]- 202.042894 148.3
[M+NH4]+ 221.083993 161.4
[M+K]+ 242.013328 145.4
[M+H-H2O]+ 186.047430 135.8
[M+HCOO]- 248.048371 162.7
[M+CH3COO]- 262.064021 155.5
[M+Na-2H]- 224.024836 148.3
[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

No literature data available for this compound.

Patent stripe

patents stripe