CID 65459396

5-chloro-2-(cyclobutylmethoxy)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C11H12Cl2O3S
SMILES
C1CC(C1)COC2=C(C=C(C=C2)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C11H12Cl2O3S/c12-9-4-5-10(11(6-9)17(13,14)15)16-7-8-2-1-3-8/h4-6,8H,1-3,7H2
InChIKey
OJWGNSIOXMZWRC-UHFFFAOYSA-N
Compound name
5-chloro-2-(cyclobutylmethoxy)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.98843 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.99571 146.5
[M+Na]+ 316.97765 154.5
[M-H]- 292.98115 152.6
[M+NH4]+ 312.02225 157.6
[M+K]+ 332.95159 152.2
[M+H-H2O]+ 276.98569 136.9
[M+HCOO]- 338.98663 153.9
[M+CH3COO]- 353.00228 197.6
[M+Na-2H]- 314.96310 149.4
[M]+ 293.98788 160.7
[M]- 293.98898 160.7
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.