CID 22077753

405937-99-7

Structural Information

Molecular Formula
C9H6F2O
SMILES
C1=C(C=C(C=C1F)F)/C=C/C=O
InChI
InChI=1S/C9H6F2O/c10-8-4-7(2-1-3-12)5-9(11)6-8/h1-6H/b2-1+
InChIKey
VUJNIOGUAYENEA-OWOJBTEDSA-N
Compound name
(E)-3-(3,5-difluorophenyl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

168.03867 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04595 135.5
[M+Na]+ 191.02789 147.6
[M+NH4]+ 186.07249 142.8
[M+K]+ 207.00183 140.3
[M-H]- 167.03139 134.8
[M+Na-2H]- 189.01334 141.3
[M]+ 168.03812 136.8
[M]- 168.03922 136.8
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