CID 11378763

2-(2-hydroxyethoxy)ethanesulfonyl fluoride

Structural Information

Molecular Formula
C4H9FO4S
SMILES
C(COCCS(=O)(=O)F)O
InChI
InChI=1S/C4H9FO4S/c5-10(7,8)4-3-9-2-1-6/h6H,1-4H2
InChIKey
PXDRRIFXHAIJIO-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethoxy)ethanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

172.02055 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.02783 130.1
[M+Na]+ 195.00977 138.2
[M-H]- 171.01327 128.0
[M+NH4]+ 190.05437 150.1
[M+K]+ 210.98371 136.9
[M+H-H2O]+ 155.01781 124.9
[M+HCOO]- 217.01875 146.3
[M+CH3COO]- 231.03440 171.6
[M+Na-2H]- 192.99522 134.4
[M]+ 172.02000 133.5
[M]- 172.02110 133.5
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