CID 22667327

2-(2,6-difluorophenyl)acetaldehyde

Structural Information

Molecular Formula
C8H6F2O
SMILES
C1=CC(=C(C(=C1)F)CC=O)F
InChI
InChI=1S/C8H6F2O/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3,5H,4H2
InChIKey
DOFKLYVOJZKVQU-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

156.03867 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04595 124.9
[M+Na]+ 179.02789 135.0
[M-H]- 155.03139 126.6
[M+NH4]+ 174.07249 146.3
[M+K]+ 195.00183 132.5
[M+H-H2O]+ 139.03593 118.1
[M+HCOO]- 201.03687 148.1
[M+CH3COO]- 215.05252 177.2
[M+Na-2H]- 177.01334 131.3
[M]+ 156.03812 123.6
[M]- 156.03922 123.6
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