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

65
Patents

156.03867 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.045946 124.9
[M+Na]+ 179.027888 135.0
[M-H]- 155.031394 126.6
[M+NH4]+ 174.072493 146.3
[M+K]+ 195.001828 132.5
[M+H-H2O]+ 139.035930 118.1
[M+HCOO]- 201.036871 148.1
[M+CH3COO]- 215.052521 177.2
[M+Na-2H]- 177.013336 131.3
[M]+ 156.03812142 123.6
[M]- 156.03921858 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