CID 10130002

Difluoropropanedioic acid

Structural Information

Molecular Formula
C3H2F2O4
SMILES
C(=O)(C(C(=O)O)(F)F)O
InChI
InChI=1S/C3H2F2O4/c4-3(5,1(6)7)2(8)9/h(H,6,7)(H,8,9)
InChIKey
LIHVFFFGWFBSAT-UHFFFAOYSA-N
Compound name
2,2-difluoropropanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

517
Patents

139.99211 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.99939 119.1
[M+Na]+ 162.98133 127.2
[M-H]- 138.98483 114.6
[M+NH4]+ 158.02593 139.0
[M+K]+ 178.95527 127.0
[M+H-H2O]+ 122.98937 114.0
[M+HCOO]- 184.99031 136.5
[M+CH3COO]- 199.00596 166.5
[M+Na-2H]- 160.96678 123.9
[M]+ 139.99156 115.5
[M]- 139.99266 115.5
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