CID 2777251

2-(trifluoromethoxy)benzylamine

Structural Information

Molecular Formula
C8H8F3NO
SMILES
C1=CC=C(C(=C1)CN)OC(F)(F)F
InChI
InChI=1S/C8H8F3NO/c9-8(10,11)13-7-4-2-1-3-6(7)5-12/h1-4H,5,12H2
InChIKey
FYXMMFFZMQMXCQ-UHFFFAOYSA-N
Compound name
[2-(trifluoromethoxy)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

564
Patents

191.0558 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06308 140.4
[M+Na]+ 214.04502 149.1
[M+NH4]+ 209.08962 146.3
[M+K]+ 230.01896 144.1
[M-H]- 190.04852 138.0
[M+Na-2H]- 212.03047 145.0
[M]+ 191.05525 140.6
[M]- 191.05635 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