CID 65916615

2-(2,4-difluorophenyl)propanal

Structural Information

Molecular Formula
C9H8F2O
SMILES
CC(C=O)C1=C(C=C(C=C1)F)F
InChI
InChI=1S/C9H8F2O/c1-6(5-12)8-3-2-7(10)4-9(8)11/h2-6H,1H3
InChIKey
XCTBCFBCVZWTDP-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

170.05432 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06160 136.2
[M+Na]+ 193.04354 147.9
[M+NH4]+ 188.08814 143.6
[M+K]+ 209.01748 141.5
[M-H]- 169.04704 135.5
[M+Na-2H]- 191.02899 141.7
[M]+ 170.05377 137.5
[M]- 170.05487 137.5
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