CID 165675510

3-(but-3-yn-1-yl)-1,1-difluorocyclobutane

Structural Information

Molecular Formula
C8H10F2
SMILES
C#CCCC1CC(C1)(F)F
InChI
InChI=1S/C8H10F2/c1-2-3-4-7-5-8(9,10)6-7/h1,7H,3-6H2
InChIKey
FFXUXUVTIMTOFN-UHFFFAOYSA-N
Compound name
3-but-3-ynyl-1,1-difluorocyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.07506 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08234 119.2
[M+Na]+ 167.06428 128.6
[M-H]- 143.06778 120.0
[M+NH4]+ 162.10888 134.8
[M+K]+ 183.03822 129.0
[M+H-H2O]+ 127.07232 104.6
[M+HCOO]- 189.07326 134.1
[M+CH3COO]- 203.08891 187.7
[M+Na-2H]- 165.04973 124.7
[M]+ 144.07451 119.4
[M]- 144.07561 119.4
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.