CID 6435514

Brn 6510029

Structural Information

Molecular Formula
C12H12F3NO
SMILES
CCNC(=O)/C=C/C1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C12H12F3NO/c1-2-16-11(17)7-6-9-4-3-5-10(8-9)12(13,14)15/h3-8H,2H2,1H3,(H,16,17)/b7-6+
InChIKey
FCIHMGBPVMONLW-VOTSOKGWSA-N
Compound name
(E)-N-ethyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

243.0871 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.09438 151.2
[M+Na]+ 266.07632 158.6
[M-H]- 242.07982 150.8
[M+NH4]+ 261.12092 168.6
[M+K]+ 282.05026 154.7
[M+H-H2O]+ 226.08436 142.7
[M+HCOO]- 288.08530 170.7
[M+CH3COO]- 302.10095 194.0
[M+Na-2H]- 264.06177 155.0
[M]+ 243.08655 146.9
[M]- 243.08765 146.9
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.