CID 10751191

183800-94-4

Structural Information

Molecular Formula
C10H7F3O2
SMILES
C1=CC(=CC=C1/C=C/C=O)OC(F)(F)F
InChI
InChI=1S/C10H7F3O2/c11-10(12,13)15-9-5-3-8(4-6-9)2-1-7-14/h1-7H/b2-1+
InChIKey
GGNLWQJCNHVNJG-OWOJBTEDSA-N
Compound name
(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

216.03981 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.047086 140.5
[M+Na]+ 239.029028 149.7
[M-H]- 215.032534 140.4
[M+NH4]+ 234.073633 159.2
[M+K]+ 255.002968 146.5
[M+H-H2O]+ 199.037070 132.5
[M+HCOO]- 261.038011 160.8
[M+CH3COO]- 275.053661 185.0
[M+Na-2H]- 237.014476 146.4
[M]+ 216.03926142 138.4
[M]- 216.04035858 138.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe