CID 138040171

2243513-80-4

Structural Information

Molecular Formula
C8H13ClO3S
SMILES
CC12CCC(C1)(CO2)CS(=O)(=O)Cl
InChI
InChI=1S/C8H13ClO3S/c1-7-2-3-8(4-7,5-12-7)6-13(9,10)11/h2-6H2,1H3
InChIKey
BPAAODAEYSARNX-UHFFFAOYSA-N
Compound name
(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.02739 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.03467 146.5
[M+Na]+ 247.01661 156.6
[M-H]- 223.02011 150.5
[M+NH4]+ 242.06121 173.9
[M+K]+ 262.99055 154.7
[M+H-H2O]+ 207.02465 146.1
[M+HCOO]- 269.02559 157.2
[M+CH3COO]- 283.04124 180.3
[M+Na-2H]- 245.00206 153.2
[M]+ 224.02684 152.2
[M]- 224.02794 152.2
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.