CID 59259540

2-[4-(difluoromethoxy)phenyl]acetaldehyde

Structural Information

Molecular Formula
C9H8F2O2
SMILES
C1=CC(=CC=C1CC=O)OC(F)F
InChI
InChI=1S/C9H8F2O2/c10-9(11)13-8-3-1-7(2-4-8)5-6-12/h1-4,6,9H,5H2
InChIKey
PYXKPYGPEVGHDW-UHFFFAOYSA-N
Compound name
2-[4-(difluoromethoxy)phenyl]acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

186.04924 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05652 134.0
[M+Na]+ 209.03846 142.4
[M-H]- 185.04196 135.2
[M+NH4]+ 204.08306 153.8
[M+K]+ 225.01240 140.6
[M+H-H2O]+ 169.04650 126.5
[M+HCOO]- 231.04744 156.1
[M+CH3COO]- 245.06309 181.9
[M+Na-2H]- 207.02391 139.2
[M]+ 186.04869 133.6
[M]- 186.04979 133.6
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