CID 79178

Dimethyl 2-fluoroterephthalate

Structural Information

Molecular Formula
C10H9FO4
SMILES
COC(=O)C1=CC(=C(C=C1)C(=O)OC)F
InChI
InChI=1S/C10H9FO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,1-2H3
InChIKey
NCRFSIQSCLJDIC-UHFFFAOYSA-N
Compound name
dimethyl 2-fluorobenzene-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

87
Patents

212.0485 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.055776 139.9
[M+Na]+ 235.037718 148.8
[M-H]- 211.041224 142.9
[M+NH4]+ 230.082323 158.9
[M+K]+ 251.011658 148.3
[M+H-H2O]+ 195.045760 133.3
[M+HCOO]- 257.046701 162.5
[M+CH3COO]- 271.062351 186.1
[M+Na-2H]- 233.023166 143.3
[M]+ 212.04795142 142.8
[M]- 212.04904858 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe