CID 388072

Nsc682535

Structural Information

Molecular Formula
C12H12Cl2N2O
SMILES
C1CCOC(C1)N2C=NC3=CC(=C(C=C32)Cl)Cl
InChI
InChI=1S/C12H12Cl2N2O/c13-8-5-10-11(6-9(8)14)16(7-15-10)12-3-1-2-4-17-12/h5-7,12H,1-4H2
InChIKey
NBNXGPHMUZHVMW-UHFFFAOYSA-N
Compound name
5,6-dichloro-1-(oxan-2-yl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.03265 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.03993 157.4
[M+Na]+ 293.02187 168.0
[M-H]- 269.02537 162.0
[M+NH4]+ 288.06647 173.9
[M+K]+ 308.99581 162.8
[M+H-H2O]+ 253.02991 149.7
[M+HCOO]- 315.03085 166.6
[M+CH3COO]- 329.04650 169.3
[M+Na-2H]- 291.00732 161.3
[M]+ 270.03210 159.6
[M]- 270.03320 159.6
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.