CID 6435640

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

Structural Information

Molecular Formula
C11H10F3NO
SMILES
C/C(=C\C1=CC(=CC=C1)C(F)(F)F)/C(=O)N
InChI
InChI=1S/C11H10F3NO/c1-7(10(15)16)5-8-3-2-4-9(6-8)11(12,13)14/h2-6H,1H3,(H2,15,16)/b7-5+
InChIKey
GTRACVMHUGGMSH-FNORWQNLSA-N
Compound name
(E)-2-methyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

229.07144 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.07872 146.7
[M+Na]+ 252.06066 154.2
[M-H]- 228.06416 146.0
[M+NH4]+ 247.10526 164.2
[M+K]+ 268.03460 150.7
[M+H-H2O]+ 212.06870 138.5
[M+HCOO]- 274.06964 164.9
[M+CH3COO]- 288.08529 191.9
[M+Na-2H]- 250.04611 148.8
[M]+ 229.07089 140.5
[M]- 229.07199 140.5
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

No patent data available for this compound.