CID 15606586

117338-43-9

Structural Information

Molecular Formula
C9H6F2O
SMILES
C1=CC(=C(C(=C1)F)/C=C/C=O)F
InChI
InChI=1S/C9H6F2O/c10-8-4-1-5-9(11)7(8)3-2-6-12/h1-6H/b3-2+
InChIKey
ABQCTYYKKNJKPK-NSCUHMNNSA-N
Compound name
(E)-3-(2,6-difluorophenyl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
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 128.3
[M+Na]+ 191.02789 138.4
[M-H]- 167.03139 129.9
[M+NH4]+ 186.07249 149.3
[M+K]+ 207.00183 135.0
[M+H-H2O]+ 151.03593 121.4
[M+HCOO]- 213.03687 151.4
[M+CH3COO]- 227.05252 178.7
[M+Na-2H]- 189.01334 134.2
[M]+ 168.03812 126.7
[M]- 168.03922 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