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

57
Patents

183.9961 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.003376 122.5
[M+Na]+ 206.985318 129.9
[M-H]- 182.988824 127.1
[M+NH4]+ 202.029923 137.8
[M+K]+ 222.959258 131.8
[M+H-H2O]+ 166.993360 115.0
[M+HCOO]- 228.994301 134.1
[M+CH3COO]- 243.009951 177.6
[M+Na-2H]- 204.970766 129.8
[M]+ 183.99555142 136.0
[M]- 183.99664858 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