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

23
Patents

200.06488 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.07216 137.0
[M+Na]+ 223.05410 146.9
[M-H]- 199.05760 138.9
[M+NH4]+ 218.09870 156.9
[M+K]+ 239.02804 144.9
[M+H-H2O]+ 183.06214 129.9
[M+HCOO]- 245.06308 158.8
[M+CH3COO]- 259.07873 187.3
[M+Na-2H]- 221.03955 140.4
[M]+ 200.06433 137.7
[M]- 200.06543 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