CID 2777048

3,4,5-trifluorobenzylamine

Structural Information

Molecular Formula
C7H6F3N
SMILES
C1=C(C=C(C(=C1F)F)F)CN
InChI
InChI=1S/C7H6F3N/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2H,3,11H2
InChIKey
AJGBQAAXUVSBCH-UHFFFAOYSA-N
Compound name
(3,4,5-trifluorophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

241
Patents

161.04523 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05251 132.9
[M+Na]+ 184.03445 143.0
[M+NH4]+ 179.07905 139.6
[M+K]+ 200.00839 137.1
[M-H]- 160.03795 131.6
[M+Na-2H]- 182.01990 137.8
[M]+ 161.04468 133.7
[M]- 161.04578 133.7
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