CID 513132

3-(5,6-dichlorobenzimidazol-1-yl)-3-(2-hydroxyethoxy)propan-1-ol

Structural Information

Molecular Formula
C12H14Cl2N2O3
SMILES
C1=C2C(=CC(=C1Cl)Cl)N(C=N2)C(CCO)OCCO
InChI
InChI=1S/C12H14Cl2N2O3/c13-8-5-10-11(6-9(8)14)16(7-15-10)12(1-2-17)19-4-3-18/h5-7,12,17-18H,1-4H2
InChIKey
FNPPKJTZTZCAQT-UHFFFAOYSA-N
Compound name
3-(5,6-dichlorobenzimidazol-1-yl)-3-(2-hydroxyethoxy)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.03815 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.04543 161.8
[M+Na]+ 327.02737 172.5
[M-H]- 303.03087 161.0
[M+NH4]+ 322.07197 177.5
[M+K]+ 343.00131 166.4
[M+H-H2O]+ 287.03541 156.0
[M+HCOO]- 349.03635 171.6
[M+CH3COO]- 363.05200 196.4
[M+Na-2H]- 325.01282 164.7
[M]+ 304.03760 168.7
[M]- 304.03870 168.7
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.