CID 58962965

(3-bromo-5-chlorophenyl)methanamine

Structural Information

Molecular Formula
C7H7BrClN
SMILES
C1=C(C=C(C=C1Cl)Br)CN
InChI
InChI=1S/C7H7BrClN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H,4,10H2
InChIKey
KHUHKVBBFRQHSO-UHFFFAOYSA-N
Compound name
(3-bromo-5-chlorophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

218.94504 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.95232 136.2
[M+Na]+ 241.93426 140.9
[M+NH4]+ 236.97886 142.3
[M+K]+ 257.90820 139.6
[M-H]- 217.93776 138.1
[M+Na-2H]- 239.91971 140.8
[M]+ 218.94449 136.5
[M]- 218.94559 136.5
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