CID 69549

Tetrafluoroterephthalic acid

Structural Information

Molecular Formula
C8H2F4O4
SMILES
C1(=C(C(=C(C(=C1F)F)C(=O)O)F)F)C(=O)O
InChI
InChI=1S/C8H2F4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)
InChIKey
WFNRNCNCXRGUKN-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrafluoroterephthalic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

14
References

1896
Patents

237.98892 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.99620 155.0
[M+Na]+ 260.97814 162.1
[M+NH4]+ 256.02274 157.5
[M+K]+ 276.95208 159.3
[M-H]- 236.98164 148.7
[M+Na-2H]- 258.96359 154.9
[M]+ 237.98837 153.6
[M]- 237.98947 153.6
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