CID 118008945

3-ethynyl-1,1-difluorocyclobutane

Structural Information

Molecular Formula
C6H6F2
SMILES
C#CC1CC(C1)(F)F
InChI
InChI=1S/C6H6F2/c1-2-5-3-6(7,8)4-5/h1,5H,3-4H2
InChIKey
NEDKLPKMGRXYOK-UHFFFAOYSA-N
Compound name
3-ethynyl-1,1-difluorocyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

116.043755 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.05103 111.0
[M+Na]+ 139.03297 121.2
[M-H]- 115.03648 112.2
[M+NH4]+ 134.07758 127.6
[M+K]+ 155.00691 122.0
[M+H-H2O]+ 99.041015 96.9
[M+HCOO]- 161.04196 126.6
[M+CH3COO]- 175.05761 182.5
[M+Na-2H]- 137.01842 117.5
[M]+ 116.04321 110.6
[M]- 116.04430 110.6
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