CID 3770848

(4-bromo-2-fluorophenyl)methanamine

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
2
Annotation Hits

1
References

749
Patents

202.9746 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.981876 133.7
[M+Na]+ 225.963818 146.0
[M-H]- 201.967324 138.7
[M+NH4]+ 221.008423 156.2
[M+K]+ 241.937758 134.3
[M+H-H2O]+ 185.971860 133.0
[M+HCOO]- 247.972801 155.6
[M+CH3COO]- 261.988451 184.8
[M+Na-2H]- 223.949266 141.0
[M]+ 202.97405142 149.3
[M]- 202.97514858 149.3
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