CID 115069

Bmstbp

Structural Information

Molecular Formula
C14H10Cl4O4S2
SMILES
CS(=O)(=O)C1=C(C=C(C(=C1)Cl)C2=CC(=C(C=C2Cl)S(=O)(=O)C)Cl)Cl
InChI
InChI=1S/C14H10Cl4O4S2/c1-23(19,20)13-5-9(15)7(3-11(13)17)8-4-12(18)14(6-10(8)16)24(2,21)22/h3-6H,1-2H3
InChIKey
RDBKPLOYRMCFIY-UHFFFAOYSA-N
Compound name
1,4-dichloro-2-(2,5-dichloro-4-methylsulfonylphenyl)-5-methylsulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

0
Patents

445.87747 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.88475 185.2
[M+Na]+ 468.86669 196.2
[M-H]- 444.87019 191.0
[M+NH4]+ 463.91129 197.1
[M+K]+ 484.84063 189.7
[M+H-H2O]+ 428.87473 182.7
[M+HCOO]- 490.87567 177.9
[M+CH3COO]- 504.89132 220.3
[M+Na-2H]- 466.85214 184.1
[M]+ 445.87692 192.8
[M]- 445.87802 192.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.