CID 43659621

2253630-16-7

Structural Information

Molecular Formula
C11H12Cl2N2
SMILES
CC(C)N1C2=C(C=C(C=C2)Cl)N=C1CCl
InChI
InChI=1S/C11H12Cl2N2/c1-7(2)15-10-4-3-8(13)5-9(10)14-11(15)6-12/h3-5,7H,6H2,1-2H3
InChIKey
PCDXAAZHKGWOKK-UHFFFAOYSA-N
Compound name
5-chloro-2-(chloromethyl)-1-propan-2-ylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.03775 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.04503 150.0
[M+Na]+ 265.02697 162.5
[M-H]- 241.03047 151.8
[M+NH4]+ 260.07157 169.7
[M+K]+ 281.00091 156.3
[M+H-H2O]+ 225.03501 143.9
[M+HCOO]- 287.03595 162.3
[M+CH3COO]- 301.05160 163.1
[M+Na-2H]- 263.01242 153.8
[M]+ 242.03720 155.8
[M]- 242.03830 155.8
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.