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

37
Patents

216.03981 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.04709 140.5
[M+Na]+ 239.02903 149.7
[M-H]- 215.03253 140.4
[M+NH4]+ 234.07363 159.2
[M+K]+ 255.00297 146.5
[M+H-H2O]+ 199.03707 132.5
[M+HCOO]- 261.03801 160.8
[M+CH3COO]- 275.05366 185.0
[M+Na-2H]- 237.01448 146.4
[M]+ 216.03926 138.4
[M]- 216.04036 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