CID 7017143

Methyl 4-(difluoromethoxy)benzoate

Structural Information

Molecular Formula
C9H8F2O3
SMILES
COC(=O)C1=CC=C(C=C1)OC(F)F
InChI
InChI=1S/C9H8F2O3/c1-13-8(12)6-2-4-7(5-3-6)14-9(10)11/h2-5,9H,1H3
InChIKey
VAAWCCULYWEXPM-UHFFFAOYSA-N
Compound name
methyl 4-(difluoromethoxy)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

202.04414 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.05142 137.4
[M+Na]+ 225.03336 145.6
[M-H]- 201.03686 138.7
[M+NH4]+ 220.07796 156.5
[M+K]+ 241.00730 144.8
[M+H-H2O]+ 185.04140 129.8
[M+HCOO]- 247.04234 158.8
[M+CH3COO]- 261.05799 184.1
[M+Na-2H]- 223.01881 141.3
[M]+ 202.04359 137.7
[M]- 202.04469 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