CID 15391832

N-ethyl-3-(trifluoromethoxy)aniline

Structural Information

Molecular Formula
C9H10F3NO
SMILES
CCNC1=CC(=CC=C1)OC(F)(F)F
InChI
InChI=1S/C9H10F3NO/c1-2-13-7-4-3-5-8(6-7)14-9(10,11)12/h3-6,13H,2H2,1H3
InChIKey
UPIVKOMCDMMWNW-UHFFFAOYSA-N
Compound name
N-ethyl-3-(trifluoromethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

205.07144 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.07872 139.3
[M+Na]+ 228.06066 147.4
[M-H]- 204.06416 139.2
[M+NH4]+ 223.10526 158.2
[M+K]+ 244.03460 145.1
[M+H-H2O]+ 188.06870 131.0
[M+HCOO]- 250.06964 160.3
[M+CH3COO]- 264.08529 187.3
[M+Na-2H]- 226.04611 145.9
[M]+ 205.07089 136.1
[M]- 205.07199 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

literature stripe

Patent stripe

patents stripe