CID 132398748

3-(difluoromethoxy)-4-methylbenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 139.3
[M+Na]+ 209.03846 150.5
[M+NH4]+ 204.08306 146.1
[M+K]+ 225.01240 144.6
[M-H]- 185.04196 138.1
[M+Na-2H]- 207.02391 144.3
[M]+ 186.04869 140.3
[M]- 186.04979 140.3
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.