CID 105432884

4,4-difluoro-3-methyloxolane-3-carboxylic acid

Structural Information

Molecular Formula
C6H8F2O3
SMILES
CC1(COCC1(F)F)C(=O)O
InChI
InChI=1S/C6H8F2O3/c1-5(4(9)10)2-11-3-6(5,7)8/h2-3H2,1H3,(H,9,10)
InChIKey
QURFLSSIPXGDCR-UHFFFAOYSA-N
Compound name
4,4-difluoro-3-methyloxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.04414 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05142 126.4
[M+Na]+ 189.03336 135.3
[M-H]- 165.03686 127.2
[M+NH4]+ 184.07796 150.6
[M+K]+ 205.00730 135.7
[M+H-H2O]+ 149.04140 122.4
[M+HCOO]- 211.04234 145.1
[M+CH3COO]- 225.05799 172.4
[M+Na-2H]- 187.01881 132.3
[M]+ 166.04359 123.6
[M]- 166.04469 123.6
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.