CID 145867040

2375269-01-3

Structural Information

Molecular Formula
C11H11ClO4S
SMILES
COC(=O)C12C3C4C1C5C2C3C45CS(=O)(=O)Cl
InChI
InChI=1S/C11H11ClO4S/c1-16-9(13)11-6-3-7(11)5-8(11)4(6)10(3,5)2-17(12,14)15/h3-8H,2H2,1H3
InChIKey
RORXIBQCOHFONF-UHFFFAOYSA-N
Compound name
methyl 4-(chlorosulfonylmethyl)cubane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.00665 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.01393 207.7
[M+Na]+ 296.99587 202.6
[M+NH4]+ 292.04047 203.8
[M+K]+ 312.96981 200.9
[M-H]- 272.99937 202.7
[M+Na-2H]- 294.98132 200.4
[M]+ 274.00610 203.9
[M]- 274.00720 203.9
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.