CID 177798227

4-ethynyl-1,1-difluorospiro[2.2]pentane

Structural Information

Molecular Formula
C7H6F2
SMILES
C#CC1CC12CC2(F)F
InChI
InChI=1S/C7H6F2/c1-2-5-3-6(5)4-7(6,8)9/h1,5H,3-4H2
InChIKey
HTNNIVPWIRAHOQ-UHFFFAOYSA-N
Compound name
5-ethynyl-2,2-difluorospiro[2.2]pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.04376 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.051036 123.7
[M+Na]+ 151.032978 142.9
[M-H]- 127.036484 131.1
[M+NH4]+ 146.077583 139.5
[M+K]+ 167.006918 136.6
[M+H-H2O]+ 111.041020 118.8
[M+HCOO]- 173.041961 140.3
[M+CH3COO]- 187.057611 193.7
[M+Na-2H]- 149.018426 132.4
[M]+ 128.04321142 124.5
[M]- 128.04430858 124.5
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.