CID 2775548

N-methyl-2-(trifluoromethoxy)aniline

Structural Information

Molecular Formula
C8H8F3NO
SMILES
CNC1=CC=CC=C1OC(F)(F)F
InChI
InChI=1S/C8H8F3NO/c1-12-6-4-2-3-5-7(6)13-8(9,10)11/h2-5,12H,1H3
InChIKey
VMEUCSINSIZDPO-UHFFFAOYSA-N
Compound name
N-methyl-2-(trifluoromethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

191.0558 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.063076 134.6
[M+Na]+ 214.045018 143.1
[M-H]- 190.048524 134.7
[M+NH4]+ 209.089623 154.1
[M+K]+ 230.018958 141.0
[M+H-H2O]+ 174.053060 126.5
[M+HCOO]- 236.054001 155.9
[M+CH3COO]- 250.069651 184.2
[M+Na-2H]- 212.030466 141.7
[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

patents stripe