CID 467883

Chembl169853

Structural Information

Molecular Formula
C11H11BrCl2N2O3
SMILES
C1=C(C=C(C2=C1N(C(=N2)Br)COC(CO)CO)Cl)Cl
InChI
InChI=1S/C11H11BrCl2N2O3/c12-11-15-10-8(14)1-6(13)2-9(10)16(11)5-19-7(3-17)4-18/h1-2,7,17-18H,3-5H2
InChIKey
HOLGTFXLDPZWMH-UHFFFAOYSA-N
Compound name
2-[(2-bromo-4,6-dichlorobenzimidazol-1-yl)methoxy]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.933 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.94028 164.4
[M+Na]+ 390.92222 179.5
[M-H]- 366.92572 167.1
[M+NH4]+ 385.96682 181.8
[M+K]+ 406.89616 165.3
[M+H-H2O]+ 350.93026 165.1
[M+HCOO]- 412.93120 172.9
[M+CH3COO]- 426.94685 203.6
[M+Na-2H]- 388.90767 168.6
[M]+ 367.93245 189.2
[M]- 367.93355 189.2
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.