CID 119031847

Rel-(1r,2s)-2-methoxycyclohexane-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H13ClO3S
SMILES
CO[C@H]1CCCC[C@H]1S(=O)(=O)Cl
InChI
InChI=1S/C7H13ClO3S/c1-11-6-4-2-3-5-7(6)12(8,9)10/h6-7H,2-5H2,1H3/t6-,7+/m0/s1
InChIKey
SZSTYCAMYADOFB-NKWVEPMBSA-N
Compound name
(1R,2S)-2-methoxycyclohexane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.02739 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03467 140.8
[M+Na]+ 235.01661 148.3
[M-H]- 211.02011 144.4
[M+NH4]+ 230.06121 160.9
[M+K]+ 250.99055 145.5
[M+H-H2O]+ 195.02465 137.0
[M+HCOO]- 257.02559 151.4
[M+CH3COO]- 271.04124 180.0
[M+Na-2H]- 233.00206 143.7
[M]+ 212.02684 142.6
[M]- 212.02794 142.6
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.