CID 75962

3-(trifluoromethyl)benzylamine

Structural Information

Molecular Formula
C8H8F3N
SMILES
C1=CC(=CC(=C1)C(F)(F)F)CN
InChI
InChI=1S/C8H8F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H,5,12H2
InChIKey
YKNZTUQUXUXTLE-UHFFFAOYSA-N
Compound name
[3-(trifluoromethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2791
Patents

175.06088 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.06816 131.8
[M+Na]+ 198.05010 140.4
[M-H]- 174.05360 131.4
[M+NH4]+ 193.09470 151.7
[M+K]+ 214.02404 137.4
[M+H-H2O]+ 158.05814 124.0
[M+HCOO]- 220.05908 152.3
[M+CH3COO]- 234.07473 181.5
[M+Na-2H]- 196.03555 137.9
[M]+ 175.06033 125.8
[M]- 175.06143 125.8
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