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: 1816
Patents: 189.98892 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	190.99620	127.4
[M+Na]+	212.97814	135.6
[M-H]-	188.98164	120.3
[M+NH4]+	208.02274	145.1
[M+K]+	228.95208	134.8
[M+H-H2O]+	172.98618	120.9
[M+HCOO]-	234.98712	140.9
[M+CH3COO]-	249.00277	175.7
[M+Na-2H]-	210.96359	131.6
[M]+	189.98837	121.0
[M]-	189.98947	121.0

Literature stripe

literature stripe

Patent stripe

patents stripe