CID 131337032

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

Structural Information

Molecular Formula
C7H10ClNO3S
SMILES
C1CC(C1)(C#N)OCCS(=O)(=O)Cl
InChI
InChI=1S/C7H10ClNO3S/c8-13(10,11)5-4-12-7(6-9)2-1-3-7/h1-5H2
InChIKey
ZYIILBZMRWMSPK-UHFFFAOYSA-N
Compound name
2-(1-cyanocyclobutyl)oxyethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.00699 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.01427 138.9
[M+Na]+ 245.99621 147.5
[M-H]- 221.99971 143.2
[M+NH4]+ 241.04081 152.6
[M+K]+ 261.97015 148.5
[M+H-H2O]+ 206.00425 125.0
[M+HCOO]- 268.00519 148.3
[M+CH3COO]- 282.02084 196.3
[M+Na-2H]- 243.98166 143.9
[M]+ 223.00644 146.6
[M]- 223.00754 146.6
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.