CID 2782290

2-(3,4-difluorophenyl)-2-oxoacetaldehyde

Structural Information

Molecular Formula
C8H4F2O2
SMILES
C1=CC(=C(C=C1C(=O)C=O)F)F
InChI
InChI=1S/C8H4F2O2/c9-6-2-1-5(3-7(6)10)8(12)4-11/h1-4H
InChIKey
VZRYIZGMQICGSF-UHFFFAOYSA-N
Compound name
2-(3,4-difluorophenyl)-2-oxoacetaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

28
Patents

170.01793 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.02521 126.8
[M+Na]+ 193.00715 136.9
[M-H]- 169.01065 128.6
[M+NH4]+ 188.05175 147.4
[M+K]+ 208.98109 134.7
[M+H-H2O]+ 153.01519 119.9
[M+HCOO]- 215.01613 149.5
[M+CH3COO]- 229.03178 179.1
[M+Na-2H]- 190.99260 131.9
[M]+ 170.01738 125.7
[M]- 170.01848 125.7
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