CID 110209510

Methyl 2,2-difluorocyclopentane-1-carboxylate

Structural Information

Molecular Formula
C7H10F2O2
SMILES
COC(=O)C1CCCC1(F)F
InChI
InChI=1S/C7H10F2O2/c1-11-6(10)5-3-2-4-7(5,8)9/h5H,2-4H2,1H3
InChIKey
PLOMQPMDUPEXSF-UHFFFAOYSA-N
Compound name
methyl 2,2-difluorocyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.06488 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07216 130.1
[M+Na]+ 187.05410 138.2
[M-H]- 163.05760 131.2
[M+NH4]+ 182.09870 154.5
[M+K]+ 203.02804 137.6
[M+H-H2O]+ 147.06214 124.6
[M+HCOO]- 209.06308 150.7
[M+CH3COO]- 223.07873 175.6
[M+Na-2H]- 185.03955 133.4
[M]+ 164.06433 126.9
[M]- 164.06543 126.9
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.