CID 474218

2-chloro-2-methylpropane-1,3-dithiol

Structural Information

Molecular Formula
C4H9ClS2
SMILES
CC(CS)(CS)Cl
InChI
InChI=1S/C4H9ClS2/c1-4(5,2-6)3-7/h6-7H,2-3H2,1H3
InChIKey
KVXAYCVNFICLRG-UHFFFAOYSA-N
Compound name
2-chloro-2-methylpropane-1,3-dithiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

155.98341 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.99069 126.7
[M+Na]+ 178.97263 135.4
[M-H]- 154.97613 127.6
[M+NH4]+ 174.01723 149.3
[M+K]+ 194.94657 131.8
[M+H-H2O]+ 138.98067 123.5
[M+HCOO]- 200.98161 133.7
[M+CH3COO]- 214.99726 174.6
[M+Na-2H]- 176.95808 128.5
[M]+ 155.98286 130.7
[M]- 155.98396 130.7
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