CID 5273985

[(2s,4s)-4-(2-bromo-5,6-dichloro-benzimidazol-1-yl)tetrahydrofuran-2-yl]methanol

Structural Information

Molecular Formula
C12H11BrCl2N2O2
SMILES
C1[C@@H](CO[C@@H]1CO)N2C3=CC(=C(C=C3N=C2Br)Cl)Cl
InChI
InChI=1S/C12H11BrCl2N2O2/c13-12-16-10-2-8(14)9(15)3-11(10)17(12)6-1-7(4-18)19-5-6/h2-3,6-7,18H,1,4-5H2/t6-,7-/m0/s1
InChIKey
HIEOGWXZBAOHKI-BQBZGAKWSA-N
Compound name
[(2S,4S)-4-(2-bromo-5,6-dichlorobenzimidazol-1-yl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.9381 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.94538 172.4
[M+Na]+ 386.92732 188.1
[M-H]- 362.93082 179.8
[M+NH4]+ 381.97192 190.9
[M+K]+ 402.90126 175.1
[M+H-H2O]+ 346.93536 172.9
[M+HCOO]- 408.93630 181.0
[M+CH3COO]- 422.95195 186.1
[M+Na-2H]- 384.91277 174.3
[M]+ 363.93755 195.2
[M]- 363.93865 195.2
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.