CID 10951168

1,4-dipentafluorophenyl benzene-1,4-dicarboxylate

Structural Information

Molecular Formula
C20H4F10O4
SMILES
C1=CC(=CC=C1C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F
InChI
InChI=1S/C20H4F10O4/c21-7-9(23)13(27)17(14(28)10(7)24)33-19(31)5-1-2-6(4-3-5)20(32)34-18-15(29)11(25)8(22)12(26)16(18)30/h1-4H
InChIKey
PYBORXJNAPMJTD-UHFFFAOYSA-N
Compound name
bis(2,3,4,5,6-pentafluorophenyl) benzene-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

497.995 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.00228 204.6
[M+Na]+ 520.98422 219.7
[M-H]- 496.98772 204.0
[M+NH4]+ 516.02882 212.2
[M+K]+ 536.95816 212.4
[M+H-H2O]+ 480.99226 187.2
[M+HCOO]- 542.99320 215.8
[M+CH3COO]- 557.00885 243.4
[M+Na-2H]- 518.96967 195.4
[M]+ 497.99445 198.8
[M]- 497.99555 198.8
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