CID 40424046

886362-79-4

Structural Information

Molecular Formula
C8H8F3NO
SMILES
COC1=C(C(=CC(=C1F)F)CN)F
InChI
InChI=1S/C8H8F3NO/c1-13-8-6(10)4(3-12)2-5(9)7(8)11/h2H,3,12H2,1H3
InChIKey
NMWHMSTUIZHCDK-UHFFFAOYSA-N
Compound name
(2,4,5-trifluoro-3-methoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.0558 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.063076 133.8
[M+Na]+ 214.045018 144.6
[M-H]- 190.048524 134.2
[M+NH4]+ 209.089623 153.8
[M+K]+ 230.018958 141.8
[M+H-H2O]+ 174.053060 125.9
[M+HCOO]- 236.054001 156.1
[M+CH3COO]- 250.069651 187.4
[M+Na-2H]- 212.030466 137.1
[M]+ 191.05525142 131.0
[M]- 191.05634858 131.0
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

No patent data available for this compound.