CID 167731107

3-[(benzyloxy)methyl]cyclobutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C12H15ClO3S
SMILES
C1C(CC1S(=O)(=O)Cl)COCC2=CC=CC=C2
InChI
InChI=1S/C12H15ClO3S/c13-17(14,15)12-6-11(7-12)9-16-8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChIKey
LRQRYUKMAOQIKE-UHFFFAOYSA-N
Compound name
3-(phenylmethoxymethyl)cyclobutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.04303 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.05031 148.3
[M+Na]+ 297.03225 154.6
[M-H]- 273.03575 154.5
[M+NH4]+ 292.07685 159.3
[M+K]+ 313.00619 153.3
[M+H-H2O]+ 257.04029 137.3
[M+HCOO]- 319.04123 160.1
[M+CH3COO]- 333.05688 195.0
[M+Na-2H]- 295.01770 151.6
[M]+ 274.04248 161.6
[M]- 274.04358 161.6
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.