CID 68965

4-fluorobutyl methanesulfonate

Structural Information

Molecular Formula
C5H11FO3S
SMILES
CS(=O)(=O)OCCCCF
InChI
InChI=1S/C5H11FO3S/c1-10(7,8)9-5-3-2-4-6/h2-5H2,1H3
InChIKey
ZCFWEKWCFXVHSA-UHFFFAOYSA-N
Compound name
4-fluorobutyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

170.04129 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.04857 131.0
[M+Na]+ 193.03051 139.4
[M-H]- 169.03401 130.4
[M+NH4]+ 188.07511 152.0
[M+K]+ 209.00445 138.4
[M+H-H2O]+ 153.03855 125.7
[M+HCOO]- 215.03949 148.2
[M+CH3COO]- 229.05514 175.3
[M+Na-2H]- 191.01596 135.2
[M]+ 170.04074 135.3
[M]- 170.04184 135.3
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