CID 132371489

Rac-[(1r,5r)-3-oxaspiro[bicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]methanesulfonyl chloride

Structural Information

Molecular Formula
C9H13ClO3S
SMILES
C1CC2(C1)[C@]3(C[C@H]3CO2)CS(=O)(=O)Cl
InChI
InChI=1S/C9H13ClO3S/c10-14(11,12)6-8-4-7(8)5-13-9(8)2-1-3-9/h7H,1-6H2/t7-,8+/m0/s1
InChIKey
DDYJTKRQZKPCBR-JGVFFNPUSA-N
Compound name
[(1R,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.02739 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.03467 136.0
[M+Na]+ 259.01661 144.8
[M-H]- 235.02011 143.5
[M+NH4]+ 254.06121 149.4
[M+K]+ 274.99055 145.9
[M+H-H2O]+ 219.02465 130.1
[M+HCOO]- 281.02559 144.9
[M+CH3COO]- 295.04124 188.9
[M+Na-2H]- 257.00206 143.7
[M]+ 236.02684 151.3
[M]- 236.02794 151.3
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.