CID 875015

2-propenamide, 3-(3-(trifluoromethyl)phenyl)-, (e)-

Structural Information

Molecular Formula
C10H8F3NO
SMILES
C1=CC(=CC(=C1)C(F)(F)F)/C=C/C(=O)N
InChI
InChI=1S/C10H8F3NO/c11-10(12,13)8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H2,14,15)/b5-4+
InChIKey
VETMUDCRMKPGOI-SNAWJCMRSA-N
Compound name
(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

42
Patents

215.0558 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06308 142.1
[M+Na]+ 238.04502 150.3
[M-H]- 214.04852 141.6
[M+NH4]+ 233.08962 160.2
[M+K]+ 254.01896 146.6
[M+H-H2O]+ 198.05306 134.0
[M+HCOO]- 260.05400 161.6
[M+CH3COO]- 274.06965 187.9
[M+Na-2H]- 236.03047 146.0
[M]+ 215.05525 136.2
[M]- 215.05635 136.2
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