CID 155820817

2356855-45-1

Structural Information

Molecular Formula
C5H6F2O3
SMILES
C1C(C1(F)F)(CO)C(=O)O
InChI
InChI=1S/C5H6F2O3/c6-5(7)1-4(5,2-8)3(9)10/h8H,1-2H2,(H,9,10)
InChIKey
IYWCUAVZFFBHDZ-UHFFFAOYSA-N
Compound name
2,2-difluoro-1-(hydroxymethyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.0285 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.035776 122.7
[M+Na]+ 175.017718 133.7
[M-H]- 151.021224 123.3
[M+NH4]+ 170.062323 141.5
[M+K]+ 190.991658 132.4
[M+H-H2O]+ 135.025760 118.9
[M+HCOO]- 197.026701 141.3
[M+CH3COO]- 211.042351 173.0
[M+Na-2H]- 173.003166 129.5
[M]+ 152.02795142 123.3
[M]- 152.02904858 123.3
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.