CID 137698804

2138169-55-6

Structural Information

Molecular Formula
C9H12ClNO3S
SMILES
C1CCC2=C(CC1)ON=C2CS(=O)(=O)Cl
InChI
InChI=1S/C9H12ClNO3S/c10-15(12,13)6-8-7-4-2-1-3-5-9(7)14-11-8/h1-6H2
InChIKey
FSPIPBLXXZZTKX-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-ylmethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.02264 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.02992 152.3
[M+Na]+ 272.01186 161.3
[M+NH4]+ 267.05646 159.5
[M+K]+ 287.98580 157.5
[M-H]- 248.01536 153.2
[M+Na-2H]- 269.99731 155.0
[M]+ 249.02209 154.5
[M]- 249.02319 154.5
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.