CID 2777046

2,4,6-trifluorobenzylamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

535
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 126.0
[M+Na]+ 184.03445 136.4
[M-H]- 160.03795 126.3
[M+NH4]+ 179.07905 147.0
[M+K]+ 200.00839 133.3
[M+H-H2O]+ 144.04249 118.4
[M+HCOO]- 206.04343 148.4
[M+CH3COO]- 220.05908 181.1
[M+Na-2H]- 182.01990 130.7
[M]+ 161.04468 121.1
[M]- 161.04578 121.1
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