CID 82612

4-[(4-aminophenyl)methyl]-2-chloroaniline

Structural Information

Molecular Formula
C13H13ClN2
SMILES
C1=CC(=CC=C1CC2=CC(=C(C=C2)N)Cl)N
InChI
InChI=1S/C13H13ClN2/c14-12-8-10(3-6-13(12)16)7-9-1-4-11(15)5-2-9/h1-6,8H,7,15-16H2
InChIKey
FABSKOVJDIDCHX-UHFFFAOYSA-N
Compound name
4-[(4-aminophenyl)methyl]-2-chloroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

232.07672 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.083996 151.6
[M+Na]+ 255.065938 160.7
[M-H]- 231.069444 157.7
[M+NH4]+ 250.110543 169.7
[M+K]+ 271.039878 154.3
[M+H-H2O]+ 215.073980 145.3
[M+HCOO]- 277.074921 172.5
[M+CH3COO]- 291.090571 194.7
[M+Na-2H]- 253.051386 156.0
[M]+ 232.07617142 150.4
[M]- 232.07726858 150.4
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