CID 467285

6-chloro-2-ethyl-1-propoxybenzimidazole

Structural Information

Molecular Formula
C12H15ClN2O
SMILES
CCCON1C2=C(C=CC(=C2)Cl)N=C1CC
InChI
InChI=1S/C12H15ClN2O/c1-3-7-16-15-11-8-9(13)5-6-10(11)14-12(15)4-2/h5-6,8H,3-4,7H2,1-2H3
InChIKey
KSFFSTLOMJDPIM-UHFFFAOYSA-N
Compound name
6-chloro-2-ethyl-1-propoxybenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0873 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09458 151.5
[M+Na]+ 261.07652 163.5
[M-H]- 237.08002 153.9
[M+NH4]+ 256.12112 171.1
[M+K]+ 277.05046 158.5
[M+H-H2O]+ 221.08456 144.7
[M+HCOO]- 283.08550 170.0
[M+CH3COO]- 297.10115 192.0
[M+Na-2H]- 259.06197 156.8
[M]+ 238.08675 158.9
[M]- 238.08785 158.9
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.