CID 53484656

(3-methyloxetan-3-yl)methanesulfonyl chloride

Structural Information

Molecular Formula
C5H9ClO3S
SMILES
CC1(COC1)CS(=O)(=O)Cl
InChI
InChI=1S/C5H9ClO3S/c1-5(2-9-3-5)4-10(6,7)8/h2-4H2,1H3
InChIKey
OFXCRGWRDCBDEJ-UHFFFAOYSA-N
Compound name
(3-methyloxetan-3-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

183.9961 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.00338 122.5
[M+Na]+ 206.98532 129.9
[M-H]- 182.98882 127.1
[M+NH4]+ 202.02992 137.8
[M+K]+ 222.95926 131.8
[M+H-H2O]+ 166.99336 115.0
[M+HCOO]- 228.99430 134.1
[M+CH3COO]- 243.00995 177.6
[M+Na-2H]- 204.97077 129.8
[M]+ 183.99555 136.0
[M]- 183.99665 136.0
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