CID 79179

Dimethyl 2,5-difluoroterephthalate

Structural Information

Molecular Formula
C10H8F2O4
SMILES
COC(=O)C1=CC(=C(C=C1F)C(=O)OC)F
InChI
InChI=1S/C10H8F2O4/c1-15-9(13)5-3-8(12)6(4-7(5)11)10(14)16-2/h3-4H,1-2H3
InChIKey
YQOQOCUGIYCMRF-UHFFFAOYSA-N
Compound name
dimethyl 2,5-difluorobenzene-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

230.03906 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.046336 141.7
[M+Na]+ 253.028278 151.7
[M-H]- 229.031784 143.7
[M+NH4]+ 248.072883 160.3
[M+K]+ 269.002218 150.7
[M+H-H2O]+ 213.036320 134.4
[M+HCOO]- 275.037261 163.2
[M+CH3COO]- 289.052911 190.1
[M+Na-2H]- 251.013726 143.9
[M]+ 230.03851142 143.9
[M]- 230.03960858 143.9
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