CID 145709435

1903836-56-5

Structural Information

Molecular Formula
C7H8F2O4
SMILES
C1[C@H]([C@@H](CC1(F)F)C(=O)O)C(=O)O
InChI
InChI=1S/C7H8F2O4/c8-7(9)1-3(5(10)11)4(2-7)6(12)13/h3-4H,1-2H2,(H,10,11)(H,12,13)/t3-,4-/m1/s1
InChIKey
QPCPPFSKBINEOB-QWWZWVQMSA-N
Compound name
(1R,2R)-4,4-difluorocyclopentane-1,2-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.03906 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.04634 134.7
[M+Na]+ 217.02828 142.6
[M-H]- 193.03178 133.2
[M+NH4]+ 212.07288 156.3
[M+K]+ 233.00222 141.1
[M+H-H2O]+ 177.03632 129.8
[M+HCOO]- 239.03726 151.7
[M+CH3COO]- 253.05291 176.5
[M+Na-2H]- 215.01373 135.4
[M]+ 194.03851 129.7
[M]- 194.03961 129.7
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

No patent data available for this compound.