CID 59417103

2-ethynyl-1,1-difluorocyclopropane

Structural Information

Molecular Formula
C5H4F2
SMILES
C#CC1CC1(F)F
InChI
InChI=1S/C5H4F2/c1-2-4-3-5(4,6)7/h1,4H,3H2
InChIKey
WGQMQWUJBLNBQS-UHFFFAOYSA-N
Compound name
2-ethynyl-1,1-difluorocyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

102.02811 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.03539 106.4
[M+Na]+ 125.01733 123.7
[M-H]- 101.02083 110.4
[M+NH4]+ 120.06193 126.4
[M+K]+ 140.99127 118.4
[M+H-H2O]+ 85.025370 97.8
[M+HCOO]- 147.02631 125.2
[M+CH3COO]- 161.04196 180.4
[M+Na-2H]- 123.00278 115.6
[M]+ 102.02756 103.2
[M]- 102.02866 103.2
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