CID 58234

1-chlorobutane-2,3-dithiol

Structural Information

Molecular Formula
C4H9ClS2
SMILES
CC(C(CCl)S)S
InChI
InChI=1S/C4H9ClS2/c1-3(6)4(7)2-5/h3-4,6-7H,2H2,1H3
InChIKey
YXBSOKRZYRRWIF-UHFFFAOYSA-N
Compound name
1-chlorobutane-2,3-dithiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

155.98341 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.99069 124.7
[M+Na]+ 178.97263 132.5
[M-H]- 154.97613 125.6
[M+NH4]+ 174.01723 147.1
[M+K]+ 194.94657 129.4
[M+H-H2O]+ 138.98067 121.4
[M+HCOO]- 200.98161 131.0
[M+CH3COO]- 214.99726 175.9
[M+Na-2H]- 176.95808 124.1
[M]+ 155.98286 128.2
[M]- 155.98396 128.2
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