CID 71758303

2-(difluoromethoxy)-3-methylbenzaldehyde

Structural Information

Molecular Formula
C9H8F2O2
SMILES
CC1=C(C(=CC=C1)C=O)OC(F)F
InChI
InChI=1S/C9H8F2O2/c1-6-3-2-4-7(5-12)8(6)13-9(10)11/h2-5,9H,1H3
InChIKey
CKTJQNDIMLYYDS-UHFFFAOYSA-N
Compound name
2-(difluoromethoxy)-3-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

186.04924 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05652 133.2
[M+Na]+ 209.03846 142.6
[M-H]- 185.04196 134.8
[M+NH4]+ 204.08306 153.3
[M+K]+ 225.01240 140.8
[M+H-H2O]+ 169.04650 126.0
[M+HCOO]- 231.04744 155.3
[M+CH3COO]- 245.06309 183.1
[M+Na-2H]- 207.02391 137.7
[M]+ 186.04869 133.1
[M]- 186.04979 133.1
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