CID 16756838

5-fluoro-1-pentyne

Structural Information

Molecular Formula
C5H7F
SMILES
C#CCCCF
InChI
InChI=1S/C5H7F/c1-2-3-4-5-6/h1H,3-5H2
InChIKey
MXYUEMWMHJSSSJ-UHFFFAOYSA-N
Compound name
5-fluoropent-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

232
Patents

86.05318 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.060456 110.1
[M+Na]+ 109.04240 120.2
[M-H]- 85.045904 109.0
[M+NH4]+ 104.08700 131.6
[M+K]+ 125.01634 118.8
[M+H-H2O]+ 69.050440 99.6
[M+HCOO]- 131.05138 128.0
[M+CH3COO]- 145.06703 175.3
[M+Na-2H]- 107.02785 117.2
[M]+ 86.052631 104.3
[M]- 86.053729 104.3
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