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

69
Patents

168.03867 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.045946 128.3
[M+Na]+ 191.027888 138.4
[M-H]- 167.031394 129.9
[M+NH4]+ 186.072493 149.3
[M+K]+ 207.001828 135.0
[M+H-H2O]+ 151.035930 121.4
[M+HCOO]- 213.036871 151.4
[M+CH3COO]- 227.052521 178.7
[M+Na-2H]- 189.013336 134.2
[M]+ 168.03812142 126.7
[M]- 168.03921858 126.7
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