CID 2761107

849924-87-4

Structural Information

Molecular Formula
C9H11ClO4S2
SMILES
CS(=O)(=O)C1=CC(=CC(=C1)CCl)S(=O)(=O)C
InChI
InChI=1S/C9H11ClO4S2/c1-15(11,12)8-3-7(6-10)4-9(5-8)16(2,13)14/h3-5H,6H2,1-2H3
InChIKey
ZKLKMINACPQAEC-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-3,5-bis(methylsulfonyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.97873 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.986006 155.2
[M+Na]+ 304.967948 165.6
[M-H]- 280.971454 159.7
[M+NH4]+ 300.012553 172.8
[M+K]+ 320.941888 160.0
[M+H-H2O]+ 264.975990 151.1
[M+HCOO]- 326.976931 162.8
[M+CH3COO]- 340.992581 191.6
[M+Na-2H]- 302.953396 158.3
[M]+ 281.97818142 162.1
[M]- 281.97927858 162.1
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.