CID 2735178

2-methanesulfonylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H7ClO4S2
SMILES
CS(=O)(=O)C1=CC=CC=C1S(=O)(=O)Cl
InChI
InChI=1S/C7H7ClO4S2/c1-13(9,10)6-4-2-3-5-7(6)14(8,11)12/h2-5H,1H3
InChIKey
XPJTUCSESGEMOI-UHFFFAOYSA-N
Compound name
2-methylsulfonylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

480
Patents

253.94743 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.954706 147.8
[M+Na]+ 276.936648 158.3
[M-H]- 252.940154 152.3
[M+NH4]+ 271.981253 166.2
[M+K]+ 292.910588 153.1
[M+H-H2O]+ 236.944690 143.8
[M+HCOO]- 298.945631 156.0
[M+CH3COO]- 312.961281 184.5
[M+Na-2H]- 274.922096 152.2
[M]+ 253.94688142 153.6
[M]- 253.94797858 153.6
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

patents stripe