CID 43198497

(2-chlorophenyl)(2,4-dimethylphenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C15H16ClN
SMILES
CC1=CC(=C(C=C1)C(C2=CC=CC=C2Cl)N)C
InChI
InChI=1S/C15H16ClN/c1-10-7-8-12(11(2)9-10)15(17)13-5-3-4-6-14(13)16/h3-9,15H,17H2,1-2H3
InChIKey
PZYAFQCJQOCVGQ-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)-(2,4-dimethylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.09712 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.10440 155.6
[M+Na]+ 268.08634 164.4
[M-H]- 244.08984 162.2
[M+NH4]+ 263.13094 173.8
[M+K]+ 284.06028 158.5
[M+H-H2O]+ 228.09438 149.4
[M+HCOO]- 290.09532 174.5
[M+CH3COO]- 304.11097 197.2
[M+Na-2H]- 266.07179 158.6
[M]+ 245.09657 156.2
[M]- 245.09767 156.2
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

No patent data available for this compound.