CID 9979

N-(4-ethoxyphenyl)-2,2,2-trifluoroacetamide

Structural Information

Molecular Formula
C10H10F3NO2
SMILES
CCOC1=CC=C(C=C1)NC(=O)C(F)(F)F
InChI
InChI=1S/C10H10F3NO2/c1-2-16-8-5-3-7(4-6-8)14-9(15)10(11,12)13/h3-6H,2H2,1H3,(H,14,15)
InChIKey
SPQLXRCPBSSJCE-UHFFFAOYSA-N
Compound name
N-(4-ethoxyphenyl)-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.06636 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07364 146.1
[M+Na]+ 256.05558 153.9
[M-H]- 232.05908 146.0
[M+NH4]+ 251.10018 163.8
[M+K]+ 272.02952 151.7
[M+H-H2O]+ 216.06362 137.6
[M+HCOO]- 278.06456 166.3
[M+CH3COO]- 292.08021 191.6
[M+Na-2H]- 254.04103 151.1
[M]+ 233.06581 143.3
[M]- 233.06691 143.3
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