CID 3019808

2-phenyl-1h-imidazole-4-carbodithioic acid

Structural Information

Molecular Formula
C10H8N2S2
SMILES
C1=CC=C(C=C1)C2=NC=C(N2)C(=S)S
InChI
InChI=1S/C10H8N2S2/c13-10(14)8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)
InChIKey
BPFXGDCUBZBEQF-UHFFFAOYSA-N
Compound name
2-phenyl-1H-imidazole-5-carbodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

220.0129 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.020176 143.4
[M+Na]+ 243.002118 153.7
[M-H]- 219.005624 146.9
[M+NH4]+ 238.046723 161.4
[M+K]+ 258.976058 147.6
[M+H-H2O]+ 203.010160 137.2
[M+HCOO]- 265.011101 154.6
[M+CH3COO]- 279.026751 155.7
[M+Na-2H]- 240.987566 143.2
[M]+ 220.01235142 143.7
[M]- 220.01344858 143.7
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