CID 2777279

175278-25-8

Structural Information

Molecular Formula
C9H10F3NO
SMILES
CCNC1=CC=CC=C1OC(F)(F)F
InChI
InChI=1S/C9H10F3NO/c1-2-13-7-5-3-4-6-8(7)14-9(10,11)12/h3-6,13H,2H2,1H3
InChIKey
ZKDGBNRBKFRELS-UHFFFAOYSA-N
Compound name
N-ethyl-2-(trifluoromethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

205.07144 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.078716 139.3
[M+Na]+ 228.060658 147.4
[M-H]- 204.064164 139.2
[M+NH4]+ 223.105263 158.2
[M+K]+ 244.034598 145.1
[M+H-H2O]+ 188.068700 131.0
[M+HCOO]- 250.069641 160.3
[M+CH3COO]- 264.085291 187.3
[M+Na-2H]- 226.046106 145.9
[M]+ 205.07089142 136.1
[M]- 205.07198858 136.1
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.