CID 57667883

3'-chloro-4-methyl-[1,1'-biphenyl]-3-amine hydrochloride

Structural Information

Molecular Formula
C13H12ClN
SMILES
CC1=C(C=C(C=C1)C2=CC(=CC=C2)Cl)N
InChI
InChI=1S/C13H12ClN/c1-9-5-6-11(8-13(9)15)10-3-2-4-12(14)7-10/h2-8H,15H2,1H3
InChIKey
JXBANRWYIZFOEN-UHFFFAOYSA-N
Compound name
5-(3-chlorophenyl)-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

217.06583 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.07311 146.3
[M+Na]+ 240.05505 156.3
[M-H]- 216.05855 153.1
[M+NH4]+ 235.09965 165.7
[M+K]+ 256.02899 150.4
[M+H-H2O]+ 200.06309 140.5
[M+HCOO]- 262.06403 166.9
[M+CH3COO]- 276.07968 160.0
[M+Na-2H]- 238.04050 151.6
[M]+ 217.06528 146.8
[M]- 217.06638 146.8
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