CID 350040

(4-bromophenyl)(phenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C13H12BrN
SMILES
C1=CC=C(C=C1)C(C2=CC=C(C=C2)Br)N
InChI
InChI=1S/C13H12BrN/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13H,15H2
InChIKey
CUGXLVXNFZFUFF-UHFFFAOYSA-N
Compound name
(4-bromophenyl)-phenylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

261.01532 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.02260 152.2
[M+Na]+ 284.00454 161.8
[M-H]- 260.00804 160.6
[M+NH4]+ 279.04914 171.7
[M+K]+ 299.97848 149.6
[M+H-H2O]+ 244.01258 151.1
[M+HCOO]- 306.01352 173.6
[M+CH3COO]- 320.02917 194.9
[M+Na-2H]- 281.98999 158.8
[M]+ 261.01477 167.7
[M]- 261.01587 167.7
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