CID 75525788

Methyl 2,4-bis(difluoromethoxy)benzoate

Structural Information

Molecular Formula
C10H8F4O4
SMILES
COC(=O)C1=C(C=C(C=C1)OC(F)F)OC(F)F
InChI
InChI=1S/C10H8F4O4/c1-16-8(15)6-3-2-5(17-9(11)12)4-7(6)18-10(13)14/h2-4,9-10H,1H3
InChIKey
ITLWGEYKAPBHEV-UHFFFAOYSA-N
Compound name
methyl 2,4-bis(difluoromethoxy)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.03586 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.04314 149.9
[M+Na]+ 291.02508 158.3
[M-H]- 267.02858 148.6
[M+NH4]+ 286.06968 166.1
[M+K]+ 306.99902 157.4
[M+H-H2O]+ 251.03312 140.2
[M+HCOO]- 313.03406 167.9
[M+CH3COO]- 327.04971 196.9
[M+Na-2H]- 289.01053 150.1
[M]+ 268.03531 149.3
[M]- 268.03641 149.3
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.