CID 145876200

1-ethynyl-1-(fluoromethyl)cyclopropane

Structural Information

Molecular Formula
C6H7F
SMILES
C#CC1(CC1)CF
InChI
InChI=1S/C6H7F/c1-2-6(5-7)3-4-6/h1H,3-5H2
InChIKey
JFNUWTMPEHSUNZ-UHFFFAOYSA-N
Compound name
1-ethynyl-1-(fluoromethyl)cyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

98.05318 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.060456 111.5
[M+Na]+ 121.04240 127.9
[M-H]- 97.045904 116.3
[M+NH4]+ 116.08700 131.5
[M+K]+ 137.01634 122.7
[M+H-H2O]+ 81.050440 103.4
[M+HCOO]- 143.05138 131.0
[M+CH3COO]- 157.06703 179.7
[M+Na-2H]- 119.02785 121.1
[M]+ 98.052631 109.3
[M]- 98.053729 109.3
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