CID 44650

Tl 767

Structural Information

Molecular Formula
C8H16Cl2S2
SMILES
CC(C(C)SCCCl)SCCCl
InChI
InChI=1S/C8H16Cl2S2/c1-7(11-5-3-9)8(2)12-6-4-10/h7-8H,3-6H2,1-2H3
InChIKey
ISUQEBSPGWDNKY-UHFFFAOYSA-N
Compound name
2,3-bis(2-chloroethylsulfanyl)butane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.00705 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.01433 146.3
[M+Na]+ 268.99627 152.5
[M-H]- 244.99977 146.1
[M+NH4]+ 264.04087 165.5
[M+K]+ 284.97021 147.1
[M+H-H2O]+ 229.00431 143.3
[M+HCOO]- 291.00525 146.7
[M+CH3COO]- 305.02090 192.0
[M+Na-2H]- 266.98172 143.4
[M]+ 246.00650 151.8
[M]- 246.00760 151.8
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.