CID 20115199

1016534-67-0

Structural Information

Molecular Formula
C12H15ClO4S
SMILES
CC1=C(C=CC(=C1)OCC2CCCO2)S(=O)(=O)Cl
InChI
InChI=1S/C12H15ClO4S/c1-9-7-10(4-5-12(9)18(13,14)15)17-8-11-3-2-6-16-11/h4-5,7,11H,2-3,6,8H2,1H3
InChIKey
CVVUPNAYMONYOW-UHFFFAOYSA-N
Compound name
2-methyl-4-(oxolan-2-ylmethoxy)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.03796 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.04524 162.3
[M+Na]+ 313.02718 171.2
[M-H]- 289.03068 170.2
[M+NH4]+ 308.07178 180.0
[M+K]+ 329.00112 168.3
[M+H-H2O]+ 273.03522 157.7
[M+HCOO]- 335.03616 174.6
[M+CH3COO]- 349.05181 193.5
[M+Na-2H]- 311.01263 164.2
[M]+ 290.03741 168.2
[M]- 290.03851 168.2
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.