CID 19436202

4-(2,2-difluoroethoxy)benzaldehyde

Structural Information

Molecular Formula
C9H8F2O2
SMILES
C1=CC(=CC=C1C=O)OCC(F)F
InChI
InChI=1S/C9H8F2O2/c10-9(11)6-13-8-3-1-7(5-12)2-4-8/h1-5,9H,6H2
InChIKey
MFNUWGXZNWXFAA-UHFFFAOYSA-N
Compound name
4-(2,2-difluoroethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

186.04924 Da
Monoisotopic Mass

2.6
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

literature stripe

Patent stripe

patents stripe