CID 9886154

[(1s,2r)-2-[(2-bromo-5,6-dichloro-benzimidazol-1-yl)methyl]-2-(hydroxymethyl)cyclopropyl]methanol

Structural Information

Molecular Formula
C13H13BrCl2N2O2
SMILES
C1[C@@H]([C@]1(CN2C3=CC(=C(C=C3N=C2Br)Cl)Cl)CO)CO
InChI
InChI=1S/C13H13BrCl2N2O2/c14-12-17-10-1-8(15)9(16)2-11(10)18(12)5-13(6-20)3-7(13)4-19/h1-2,7,19-20H,3-6H2/t7-,13-/m1/s1
InChIKey
KQOGFYRHOOJKRX-FUXBKTLASA-N
Compound name
[(1S,2R)-2-[(2-bromo-5,6-dichlorobenzimidazol-1-yl)methyl]-2-(hydroxymethyl)cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.95374 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.96102 168.1
[M+Na]+ 400.94296 185.4
[M-H]- 376.94646 174.0
[M+NH4]+ 395.98756 182.5
[M+K]+ 416.91690 169.5
[M+H-H2O]+ 360.95100 169.2
[M+HCOO]- 422.95194 176.9
[M+CH3COO]- 436.96759 181.1
[M+Na-2H]- 398.92841 172.7
[M]+ 377.95319 193.4
[M]- 377.95429 193.4
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.