CID 123563

2,6-difluorobenzylamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1231
Patents

143.05466 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06194 126.7
[M+Na]+ 166.04388 138.0
[M+NH4]+ 161.08848 134.7
[M+K]+ 182.01782 131.7
[M-H]- 142.04738 127.1
[M+Na-2H]- 164.02933 133.1
[M]+ 143.05411 128.2
[M]- 143.05521 128.2
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