CID 40514

Disulfide, 4-chloro trichloromethyl

Structural Information

Molecular Formula
C7H4Cl4S2
SMILES
C1=CC(=CC=C1SSC(Cl)(Cl)Cl)Cl
InChI
InChI=1S/C7H4Cl4S2/c8-5-1-3-6(4-2-5)12-13-7(9,10)11/h1-4H
InChIKey
FWSHLMWNJCHLIF-UHFFFAOYSA-N
Compound name
1-chloro-4-(trichloromethyldisulfanyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

291.85086 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.85814 151.1
[M+Na]+ 314.84008 159.9
[M-H]- 290.84358 152.7
[M+NH4]+ 309.88468 168.2
[M+K]+ 330.81402 153.7
[M+H-H2O]+ 274.84812 149.5
[M+HCOO]- 336.84906 144.0
[M+CH3COO]- 350.86471 194.9
[M+Na-2H]- 312.82553 151.0
[M]+ 291.85031 153.6
[M]- 291.85141 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