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

40
Patents

202.04414 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.051416 137.4
[M+Na]+ 225.033358 145.6
[M-H]- 201.036864 138.7
[M+NH4]+ 220.077963 156.5
[M+K]+ 241.007298 144.8
[M+H-H2O]+ 185.041400 129.8
[M+HCOO]- 247.042341 158.8
[M+CH3COO]- 261.057991 184.1
[M+Na-2H]- 223.018806 141.3
[M]+ 202.04359142 137.7
[M]- 202.04468858 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