CID 2783277

2,3,4,6-tetrafluorobenzylamine hydrochloride

Structural Information

Molecular Formula
C7H5F4N
SMILES
C1=C(C(=C(C(=C1F)F)F)CN)F
InChI
InChI=1S/C7H5F4N/c8-4-1-5(9)7(11)6(10)3(4)2-12/h1H,2,12H2
InChIKey
ZHLFJXUBVIROCT-UHFFFAOYSA-N
Compound name
(2,3,4,6-tetrafluorophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

179.03581 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.04309 140.4
[M+Na]+ 202.02503 149.4
[M+NH4]+ 197.06963 145.8
[M+K]+ 217.99897 143.8
[M-H]- 178.02853 137.6
[M+Na-2H]- 200.01048 143.9
[M]+ 179.03526 140.6
[M]- 179.03636 140.6
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