CID 18951512

2-ethoxyethane-1-sulfonyl fluoride

Structural Information

Molecular Formula
C4H9FO3S
SMILES
CCOCCS(=O)(=O)F
InChI
InChI=1S/C4H9FO3S/c1-2-8-3-4-9(5,6)7/h2-4H2,1H3
InChIKey
IIVZXQVRRWKFIY-UHFFFAOYSA-N
Compound name
2-ethoxyethanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

156.02565 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.03293 126.5
[M+Na]+ 179.01487 135.3
[M-H]- 155.01837 126.0
[M+NH4]+ 174.05947 148.0
[M+K]+ 194.98881 134.5
[M+H-H2O]+ 139.02291 121.3
[M+HCOO]- 201.02385 144.0
[M+CH3COO]- 215.03950 172.3
[M+Na-2H]- 177.00032 131.2
[M]+ 156.02510 130.3
[M]- 156.02620 130.3
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