CID 3021759

2h-benzimidazole-2-thione, 1,3-diacetyl-5-chloro-1,3-dihydro-

Structural Information

Molecular Formula
C11H9ClN2O2S
SMILES
CC(=O)N1C2=C(C=C(C=C2)Cl)N(C1=S)C(=O)C
InChI
InChI=1S/C11H9ClN2O2S/c1-6(15)13-9-4-3-8(12)5-10(9)14(7(2)16)11(13)17/h3-5H,1-2H3
InChIKey
UGJJYGSMUZKYKX-UHFFFAOYSA-N
Compound name
1-(3-acetyl-5-chloro-2-sulfanylidenebenzimidazol-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.00732 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.014596 153.9
[M+Na]+ 290.996538 167.7
[M-H]- 267.000044 157.8
[M+NH4]+ 286.041143 173.2
[M+K]+ 306.970478 162.3
[M+H-H2O]+ 251.004580 149.0
[M+HCOO]- 313.005521 166.5
[M+CH3COO]- 327.021171 194.0
[M+Na-2H]- 288.981986 154.1
[M]+ 268.00677142 161.8
[M]- 268.00786858 161.8
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.