CID 75672

Btcmts

Structural Information

Molecular Formula
C2Cl6S3
SMILES
C(SSSC(Cl)(Cl)Cl)(Cl)(Cl)Cl
InChI
InChI=1S/C2Cl6S3/c3-1(4,5)9-11-10-2(6,7)8
InChIKey
HEWWCALXHMTHHM-UHFFFAOYSA-N
Compound name
trichloro-(trichloromethyltrisulfanyl)methane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

329.72934 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.73662 165.1
[M+Na]+ 352.71856 169.1
[M-H]- 328.72206 161.0
[M+NH4]+ 347.76316 177.5
[M+K]+ 368.69250 165.2
[M+H-H2O]+ 312.72660 165.1
[M+HCOO]- 374.72754 142.6
[M+CH3COO]- 388.74319 203.2
[M+Na-2H]- 350.70401 160.4
[M]+ 329.72879 159.5
[M]- 329.72989 159.5
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

patents stripe