CID 2120281

4-(difluoromethoxy)-3,5-dimethylbenzaldehyde

Structural Information

Molecular Formula
C10H10F2O2
SMILES
CC1=CC(=CC(=C1OC(F)F)C)C=O
InChI
InChI=1S/C10H10F2O2/c1-6-3-8(5-13)4-7(2)9(6)14-10(11)12/h3-5,10H,1-2H3
InChIKey
IBHMZDWYOXJTLT-UHFFFAOYSA-N
Compound name
4-(difluoromethoxy)-3,5-dimethylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

200.06488 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.072156 137.0
[M+Na]+ 223.054098 146.9
[M-H]- 199.057604 138.9
[M+NH4]+ 218.098703 156.9
[M+K]+ 239.028038 144.9
[M+H-H2O]+ 183.062140 129.9
[M+HCOO]- 245.063081 158.8
[M+CH3COO]- 259.078731 187.3
[M+Na-2H]- 221.039546 140.4
[M]+ 200.06433142 137.7
[M]- 200.06542858 137.7
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