CID 98120080

142144-44-3

Structural Information

Molecular Formula
C6H6F2O3
SMILES
COC(=O)[C@@H]1[C@H](C1(F)F)C=O
InChI
InChI=1S/C6H6F2O3/c1-11-5(10)4-3(2-9)6(4,7)8/h2-4H,1H3/t3-,4+/m1/s1
InChIKey
QVHBGEHYPOOEQS-DMTCNVIQSA-N
Compound name
methyl (1S,3S)-2,2-difluoro-3-formylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.0285 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.03578 126.0
[M+Na]+ 187.01772 137.8
[M-H]- 163.02122 129.1
[M+NH4]+ 182.06232 144.1
[M+K]+ 202.99166 136.5
[M+H-H2O]+ 147.02576 120.4
[M+HCOO]- 209.02670 147.6
[M+CH3COO]- 223.04235 180.7
[M+Na-2H]- 185.00317 131.3
[M]+ 164.02795 129.6
[M]- 164.02905 129.6
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.