CID 388073

Nsc682536

Structural Information

Molecular Formula
C12H10Cl2N2O
SMILES
C1COC2(C1C2(Cl)Cl)N3C=NC4=CC=CC=C43
InChI
InChI=1S/C12H10Cl2N2O/c13-11(14)10-5-6-17-12(10,11)16-7-15-8-3-1-2-4-9(8)16/h1-4,7,10H,5-6H2
InChIKey
FBFWSQQSRNUUDF-UHFFFAOYSA-N
Compound name
1-(6,6-dichloro-2-oxabicyclo[3.1.0]hexan-1-yl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.01703 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.02431 156.9
[M+Na]+ 291.00625 171.2
[M-H]- 267.00975 163.4
[M+NH4]+ 286.05085 174.8
[M+K]+ 306.98019 166.3
[M+H-H2O]+ 251.01429 150.8
[M+HCOO]- 313.01523 167.6
[M+CH3COO]- 327.03088 169.7
[M+Na-2H]- 288.99170 162.6
[M]+ 268.01648 164.4
[M]- 268.01758 164.4
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.