CID 67833

Tetrafluorosuccinic acid

Structural Information

Molecular Formula
C4H2F4O4
SMILES
C(=O)(C(C(C(=O)O)(F)F)(F)F)O
InChI
InChI=1S/C4H2F4O4/c5-3(6,1(9)10)4(7,8)2(11)12/h(H,9,10)(H,11,12)
InChIKey
YUDUFRYTKFGQCL-UHFFFAOYSA-N
Compound name
2,2,3,3-tetrafluorobutanedioic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

1592
Patents

189.98892 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.996196 127.4
[M+Na]+ 212.978138 135.6
[M-H]- 188.981644 120.3
[M+NH4]+ 208.022743 145.1
[M+K]+ 228.952078 134.8
[M+H-H2O]+ 172.986180 120.9
[M+HCOO]- 234.987121 140.9
[M+CH3COO]- 249.002771 175.7
[M+Na-2H]- 210.963586 131.6
[M]+ 189.98837142 121.0
[M]- 189.98946858 121.0
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