CID 11110341

2,4,5,6-tetramethylbenzenedisulfonyl dichloride

Structural Information

Molecular Formula
C10H12Cl2O4S2
SMILES
CC1=C(C(=C(C(=C1C)S(=O)(=O)Cl)C)S(=O)(=O)Cl)C
InChI
InChI=1S/C10H12Cl2O4S2/c1-5-6(2)9(17(11,13)14)8(4)10(7(5)3)18(12,15)16/h1-4H3
InChIKey
YEYQIYAYJJXKFB-UHFFFAOYSA-N
Compound name
2,4,5,6-tetramethylbenzene-1,3-disulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

329.9554 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.96268 160.9
[M+Na]+ 352.94462 172.8
[M-H]- 328.94812 165.9
[M+NH4]+ 347.98922 177.7
[M+K]+ 368.91856 166.5
[M+H-H2O]+ 312.95266 158.3
[M+HCOO]- 374.95360 163.2
[M+CH3COO]- 388.96925 202.5
[M+Na-2H]- 350.93007 161.6
[M]+ 329.95485 170.0
[M]- 329.95595 170.0
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