CID 2736941

2,3-difluorobenzylamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

713
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

No literature data available for this compound.

Patent stripe

patents stripe