CID 3057480

74039-46-6

Structural Information

Molecular Formula
C7Cl8OS
SMILES
C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)S(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C7Cl8OS/c8-1-2(9)4(11)6(5(12)3(1)10)17(16)7(13,14)15
InChIKey
RFFMSSMUKAOONC-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentachloro-6-(trichloromethylsulfinyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.7178 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.72508 187.8
[M+Na]+ 434.70702 192.2
[M-H]- 410.71052 180.8
[M+NH4]+ 429.75162 195.3
[M+K]+ 450.68096 191.5
[M+H-H2O]+ 394.71506 186.4
[M+HCOO]- 456.71600 166.0
[M+CH3COO]- 470.73165 221.1
[M+Na-2H]- 432.69247 178.3
[M]+ 411.71725 179.3
[M]- 411.71835 179.3
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.