CID 5273986

(2r,3s,4r)-4-(2-bromo-5,6-dichloro-benzimidazol-1-yl)-2-methyl-tetrahydrofuran-3-ol

Structural Information

Molecular Formula
C12H11BrCl2N2O2
SMILES
C[C@@H]1[C@H]([C@@H](CO1)N2C3=CC(=C(C=C3N=C2Br)Cl)Cl)O
InChI
InChI=1S/C12H11BrCl2N2O2/c1-5-11(18)10(4-19-5)17-9-3-7(15)6(14)2-8(9)16-12(17)13/h2-3,5,10-11,18H,4H2,1H3/t5-,10-,11-/m1/s1
InChIKey
SPSZRFPCMWLDMZ-ZFFXRTFHSA-N
Compound name
(2R,3S,4R)-4-(2-bromo-5,6-dichlorobenzimidazol-1-yl)-2-methyloxolan-3-ol
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 172.6
[M+Na]+ 386.92732 189.1
[M-H]- 362.93082 180.3
[M+NH4]+ 381.97192 191.4
[M+K]+ 402.90126 176.0
[M+H-H2O]+ 346.93536 173.3
[M+HCOO]- 408.93630 181.1
[M+CH3COO]- 422.95195 186.6
[M+Na-2H]- 384.91277 173.8
[M]+ 363.93755 195.7
[M]- 363.93865 195.7
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.