CID 127124980

N-[3,5-bis(trifluoromethyl)phenyl]prop-2-enamide

Structural Information

Molecular Formula
C11H7F6NO
SMILES
C=CC(=O)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C11H7F6NO/c1-2-9(19)18-8-4-6(10(12,13)14)3-7(5-8)11(15,16)17/h2-5H,1H2,(H,18,19)
InChIKey
OQVKOZLZNWNAHC-UHFFFAOYSA-N
Compound name
N-[3,5-bis(trifluoromethyl)phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

29
Patents

283.04318 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.05046 154.3
[M+Na]+ 306.03240 163.5
[M-H]- 282.03590 150.6
[M+NH4]+ 301.07700 169.9
[M+K]+ 322.00634 159.1
[M+H-H2O]+ 266.04044 143.8
[M+HCOO]- 328.04138 169.1
[M+CH3COO]- 342.05703 201.2
[M+Na-2H]- 304.01785 156.9
[M]+ 283.04263 145.5
[M]- 283.04373 145.5
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

patents stripe