CID 72214433

Oxetane-3-sulfonyl chloride

Structural Information

Molecular Formula
C3H5ClO3S
SMILES
C1C(CO1)S(=O)(=O)Cl
InChI
InChI=1S/C3H5ClO3S/c4-8(5,6)3-1-7-2-3/h3H,1-2H2
InChIKey
QCQMLRRDOKKVFL-UHFFFAOYSA-N
Compound name
oxetane-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

163
Patents

155.9648 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.97208 113.2
[M+Na]+ 178.95402 120.7
[M-H]- 154.95752 117.8
[M+NH4]+ 173.99862 127.6
[M+K]+ 194.92796 122.9
[M+H-H2O]+ 138.96206 104.6
[M+HCOO]- 200.96300 125.4
[M+CH3COO]- 214.97865 172.2
[M+Na-2H]- 176.93947 120.0
[M]+ 155.96425 125.5
[M]- 155.96535 125.5
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