CID 2735182

4-methanesulfonylbenzene-1-sulfonyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4064
Patents

253.94743 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.95471 147.8
[M+Na]+ 276.93665 158.3
[M-H]- 252.94015 152.3
[M+NH4]+ 271.98125 166.2
[M+K]+ 292.91059 153.1
[M+H-H2O]+ 236.94469 143.8
[M+HCOO]- 298.94563 156.0
[M+CH3COO]- 312.96128 184.5
[M+Na-2H]- 274.92210 152.2
[M]+ 253.94688 153.6
[M]- 253.94798 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