CID 165904190

2-(1-cyanocyclobutoxy)ethane-1-sulfonyl fluoride

Structural Information

Molecular Formula
C7H10FNO3S
SMILES
C1CC(C1)(C#N)OCCS(=O)(=O)F
InChI
InChI=1S/C7H10FNO3S/c8-13(10,11)5-4-12-7(6-9)2-1-3-7/h1-5H2
InChIKey
NQLJZNXJXPZKBI-UHFFFAOYSA-N
Compound name
2-(1-cyanocyclobutyl)oxyethanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.03654 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.04382 137.4
[M+Na]+ 230.02576 144.9
[M-H]- 206.02926 140.2
[M+NH4]+ 225.07036 150.6
[M+K]+ 245.99970 147.7
[M+H-H2O]+ 190.03380 121.5
[M+HCOO]- 252.03474 149.6
[M+CH3COO]- 266.05039 195.3
[M+Na-2H]- 228.01121 142.0
[M]+ 207.03599 142.5
[M]- 207.03709 142.5
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

No patent data available for this compound.