CID 225339

Nsc14562

Structural Information

Molecular Formula
C7H12ClNO3S2
SMILES
CN(C)COC(=S)SC(=O)OCCCl
InChI
InChI=1S/C7H12ClNO3S2/c1-9(2)5-12-7(13)14-6(10)11-4-3-8/h3-5H2,1-2H3
InChIKey
VJPAVUXPZQKPEA-UHFFFAOYSA-N
Compound name
2-chloroethyl (dimethylamino)methoxycarbothioylsulfanylformate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.99472 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.00200 151.7
[M+Na]+ 279.98394 157.7
[M-H]- 255.98744 153.2
[M+NH4]+ 275.02854 170.2
[M+K]+ 295.95788 154.9
[M+H-H2O]+ 239.99198 146.8
[M+HCOO]- 301.99292 159.6
[M+CH3COO]- 316.00857 193.8
[M+Na-2H]- 277.96939 150.1
[M]+ 256.99417 159.2
[M]- 256.99527 159.2
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

No patent data available for this compound.