CID 3770848

4-bromo-2-fluorobenzylamine

Structural Information

Molecular Formula
C7H7BrFN
SMILES
C1=CC(=C(C=C1Br)F)CN
InChI
InChI=1S/C7H7BrFN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2
InChIKey
RLTFBWCBGIZCDQ-UHFFFAOYSA-N
Compound name
(4-bromo-2-fluorophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

674
Patents

202.9746 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.98188 135.8
[M+Na]+ 225.96382 138.9
[M+NH4]+ 221.00842 140.9
[M+K]+ 241.93776 138.3
[M-H]- 201.96732 136.2
[M+Na-2H]- 223.94927 139.5
[M]+ 202.97405 135.1
[M]- 202.97515 135.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe