CID 40424046

3-methoxy-2,4,5-trifluorobenzylamine

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]+ 192.06308 140.8
[M+Na]+ 214.04502 150.7
[M+NH4]+ 209.08962 146.8
[M+K]+ 230.01896 145.1
[M-H]- 190.04852 139.1
[M+Na-2H]- 212.03047 144.8
[M]+ 191.05525 141.4
[M]- 191.05635 141.4
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.