CID 2777043

2,3,6-trifluorobenzylamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

247
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

No literature data available for this compound.

Patent stripe

patents stripe