CID 9739

4-fluorobutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C4H8ClFO2S
SMILES
C(CCS(=O)(=O)Cl)CF
InChI
InChI=1S/C4H8ClFO2S/c5-9(7,8)4-2-1-3-6/h1-4H2
InChIKey
SAWBBSTVVUPYAY-UHFFFAOYSA-N
Compound name
4-fluorobutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

173.99176 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.999036 128.0
[M+Na]+ 196.980978 137.6
[M-H]- 172.984484 127.7
[M+NH4]+ 192.025583 149.8
[M+K]+ 212.954918 134.4
[M+H-H2O]+ 156.989020 124.1
[M+HCOO]- 218.989961 140.8
[M+CH3COO]- 233.005611 174.2
[M+Na-2H]- 194.966426 132.3
[M]+ 173.99121142 132.1
[M]- 173.99230858 132.1
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