CID 123589

2,5-difluorobenzylamine

Structural Information

Molecular Formula
C7H7F2N
SMILES
C1=CC(=C(C=C1F)CN)F
InChI
InChI=1S/C7H7F2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4,10H2
InChIKey
GDFBHCMFIUBEQT-UHFFFAOYSA-N
Compound name
(2,5-difluorophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

919
Patents

143.05466 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06194 123.6
[M+Na]+ 166.04388 133.0
[M-H]- 142.04738 124.8
[M+NH4]+ 161.08848 145.0
[M+K]+ 182.01782 130.3
[M+H-H2O]+ 126.05192 116.7
[M+HCOO]- 188.05286 147.1
[M+CH3COO]- 202.06851 177.1
[M+Na-2H]- 164.02933 129.6
[M]+ 143.05411 119.4
[M]- 143.05521 119.4
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