CID 130202285

Pent-4-yne-1-sulfonylfluoride

Structural Information

Molecular Formula
C5H7FO2S
SMILES
C#CCCCS(=O)(=O)F
InChI
InChI=1S/C5H7FO2S/c1-2-3-4-5-9(6,7)8/h1H,3-5H2
InChIKey
XOBKMWLSNULJGK-UHFFFAOYSA-N
Compound name
pent-4-yne-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

150.01508 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.02236 129.2
[M+Na]+ 173.00430 140.0
[M-H]- 149.00780 129.0
[M+NH4]+ 168.04890 148.9
[M+K]+ 188.97824 138.5
[M+H-H2O]+ 133.01234 118.5
[M+HCOO]- 195.01328 141.3
[M+CH3COO]- 209.02893 180.8
[M+Na-2H]- 170.98975 132.7
[M]+ 150.01453 126.2
[M]- 150.01563 126.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe