CID 12538866

2-chloroethanethioamide

Structural Information

Molecular Formula
C2H4ClNS
SMILES
C(C(=S)N)Cl
InChI
InChI=1S/C2H4ClNS/c3-1-2(4)5/h1H2,(H2,4,5)
InChIKey
RVAQPUMLECIFFY-UHFFFAOYSA-N
Compound name
2-chloroethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

108.975296 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.98257 115.9
[M+Na]+ 131.96451 124.5
[M-H]- 107.96802 116.4
[M+NH4]+ 127.00912 139.5
[M+K]+ 147.93845 121.6
[M+H-H2O]+ 91.972556 112.7
[M+HCOO]- 153.97350 130.3
[M+CH3COO]- 167.98915 166.9
[M+Na-2H]- 129.94996 118.9
[M]+ 108.97475 116.1
[M]- 108.97584 116.1
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