CID 154578299

1-(1,1-difluoroethyl)-1-ethynylcyclopropane

Structural Information

Molecular Formula
C7H8F2
SMILES
CC(C1(CC1)C#C)(F)F
InChI
InChI=1S/C7H8F2/c1-3-7(4-5-7)6(2,8)9/h1H,4-5H2,2H3
InChIKey
LLOFQCIHTXMKFQ-UHFFFAOYSA-N
Compound name
1-(1,1-difluoroethyl)-1-ethynylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
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 118.0
[M+Na]+ 153.04862 134.1
[M-H]- 129.05212 121.6
[M+NH4]+ 148.09322 136.9
[M+K]+ 169.02256 128.9
[M+H-H2O]+ 113.05666 109.4
[M+HCOO]- 175.05760 134.9
[M+CH3COO]- 189.07325 184.8
[M+Na-2H]- 151.03407 127.0
[M]+ 130.05885 114.6
[M]- 130.05995 114.6
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