CID 3960878

Schembl8745459

Structural Information

Molecular Formula
C2H2N2S2
SMILES
C(=N)=NC(=S)S
InChI
InChI=1S/C2H2N2S2/c3-1-4-2(5)6/h3H,(H,5,6)
InChIKey
FFVIQESJUBXDNZ-UHFFFAOYSA-N
Compound name
iminomethylidenecarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

117.96594 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.973216 118.0
[M+Na]+ 140.955158 126.1
[M-H]- 116.958664 120.0
[M+NH4]+ 135.999763 140.8
[M+K]+ 156.929098 123.1
[M+H-H2O]+ 100.963200 112.5
[M+HCOO]- 162.964141 133.9
[M+CH3COO]- 176.979791 173.0
[M+Na-2H]- 138.940606 120.7
[M]+ 117.96539142 117.6
[M]- 117.96648858 117.6
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.