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

6
Patents

173.99176 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.99904 128.0
[M+Na]+ 196.98098 137.6
[M-H]- 172.98448 127.7
[M+NH4]+ 192.02558 149.8
[M+K]+ 212.95492 134.4
[M+H-H2O]+ 156.98902 124.1
[M+HCOO]- 218.98996 140.8
[M+CH3COO]- 233.00561 174.2
[M+Na-2H]- 194.96643 132.3
[M]+ 173.99121 132.1
[M]- 173.99231 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