CID 142286627

3-(difluoro(methoxy)methyl)benzaldehyde

Structural Information

Molecular Formula
C9H8F2O2
SMILES
COC(C1=CC=CC(=C1)C=O)(F)F
InChI
InChI=1S/C9H8F2O2/c1-13-9(10,11)8-4-2-3-7(5-8)6-12/h2-6H,1H3
InChIKey
ZODPXYYGVQGIJC-UHFFFAOYSA-N
Compound name
3-[difluoro(methoxy)methyl]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.04924 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05652 133.8
[M+Na]+ 209.03846 143.0
[M-H]- 185.04196 135.3
[M+NH4]+ 204.08306 153.8
[M+K]+ 225.01240 141.1
[M+H-H2O]+ 169.04650 127.0
[M+HCOO]- 231.04744 155.4
[M+CH3COO]- 245.06309 181.4
[M+Na-2H]- 207.02391 141.0
[M]+ 186.04869 133.5
[M]- 186.04979 133.5
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

No patent data available for this compound.