CID 91658511

Ethyl 4-(difluoromethyl)-3-fluorobenzoate

Structural Information

Molecular Formula
C10H9F3O2
SMILES
CCOC(=O)C1=CC(=C(C=C1)C(F)F)F
InChI
InChI=1S/C10H9F3O2/c1-2-15-10(14)6-3-4-7(9(12)13)8(11)5-6/h3-5,9H,2H2,1H3
InChIKey
AZVATHSVUMTIIV-UHFFFAOYSA-N
Compound name
ethyl 4-(difluoromethyl)-3-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.05547 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06275 141.1
[M+Na]+ 241.04469 149.9
[M-H]- 217.04819 141.2
[M+NH4]+ 236.08929 159.8
[M+K]+ 257.01863 147.9
[M+H-H2O]+ 201.05273 132.8
[M+HCOO]- 263.05367 160.8
[M+CH3COO]- 277.06932 189.1
[M+Na-2H]- 239.03014 143.2
[M]+ 218.05492 139.5
[M]- 218.05602 139.5
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.