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

1
Patents

166.04414 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.051416 126.4
[M+Na]+ 189.033358 135.3
[M-H]- 165.036864 127.2
[M+NH4]+ 184.077963 150.6
[M+K]+ 205.007298 135.7
[M+H-H2O]+ 149.041400 122.4
[M+HCOO]- 211.042341 145.1
[M+CH3COO]- 225.057991 172.4
[M+Na-2H]- 187.018806 132.3
[M]+ 166.04359142 123.6
[M]- 166.04468858 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

patents stripe