CID 155937579

3-ethynyl-1,1-difluorocyclopentane

Structural Information

Molecular Formula
C7H8F2
SMILES
C#CC1CCC(C1)(F)F
InChI
InChI=1S/C7H8F2/c1-2-6-3-4-7(8,9)5-6/h1,6H,3-5H2
InChIKey
WNKMZJLDOMTVLW-UHFFFAOYSA-N
Compound name
3-ethynyl-1,1-difluorocyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

130.0594 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.06668 119.9
[M+Na]+ 153.04862 131.0
[M-H]- 129.05212 120.2
[M+NH4]+ 148.09322 143.0
[M+K]+ 169.02256 126.7
[M+H-H2O]+ 113.05666 108.5
[M+HCOO]- 175.05760 135.8
[M+CH3COO]- 189.07325 180.1
[M+Na-2H]- 151.03407 124.1
[M]+ 130.05885 110.0
[M]- 130.05995 110.0
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.