CID 507030

(4,5-dichloro-4,5-dihydroimidazol-1-yl)-(2,4-dihydroxyphenyl)methanethione

Structural Information

Molecular Formula
C10H8Cl2N2O2S
SMILES
C1=CC(=C(C=C1O)O)C(=S)N2C=NC(C2Cl)Cl
InChI
InChI=1S/C10H8Cl2N2O2S/c11-8-9(12)14(4-13-8)10(17)6-2-1-5(15)3-7(6)16/h1-4,8-9,15-16H
InChIKey
BAXSBBSRZNLTLP-UHFFFAOYSA-N
Compound name
(4,5-dichloro-4,5-dihydroimidazol-1-yl)-(2,4-dihydroxyphenyl)methanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.96835 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.97563 157.3
[M+Na]+ 312.95757 168.3
[M-H]- 288.96107 159.6
[M+NH4]+ 308.00217 173.2
[M+K]+ 328.93151 161.5
[M+H-H2O]+ 272.96561 152.5
[M+HCOO]- 334.96655 161.6
[M+CH3COO]- 348.98220 168.5
[M+Na-2H]- 310.94302 155.1
[M]+ 289.96780 159.8
[M]- 289.96890 159.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.