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]+ 192.06308 133.8
[M+Na]+ 214.04502 144.6
[M-H]- 190.04852 134.2
[M+NH4]+ 209.08962 153.8
[M+K]+ 230.01896 141.8
[M+H-H2O]+ 174.05306 125.9
[M+HCOO]- 236.05400 156.1
[M+CH3COO]- 250.06965 187.4
[M+Na-2H]- 212.03047 137.1
[M]+ 191.05525 131.0
[M]- 191.05635 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.