CID 137935877

2253638-68-3

Structural Information

Molecular Formula
C8H11ClO3S
SMILES
C1[C@H]([C@@H]2[C@H]3C[C@H]3[C@H]1O2)CS(=O)(=O)Cl
InChI
InChI=1S/C8H11ClO3S/c9-13(10,11)3-4-1-7-5-2-6(5)8(4)12-7/h4-8H,1-3H2/t4-,5+,6-,7-,8+/m0/s1
InChIKey
VFFHTMAJFRTQJT-GWVFRZDISA-N
Compound name
[(1S,2R,4S,5S,6R)-8-oxatricyclo[3.2.1.02,4]octan-6-yl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.01175 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.01903 144.1
[M+Na]+ 245.00097 156.3
[M-H]- 221.00447 149.7
[M+NH4]+ 240.04557 164.0
[M+K]+ 260.97491 152.7
[M+H-H2O]+ 205.00901 142.4
[M+HCOO]- 267.00995 153.8
[M+CH3COO]- 281.02560 186.7
[M+Na-2H]- 242.98642 148.3
[M]+ 222.01120 153.2
[M]- 222.01230 153.2
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.