CID 3012562

2-[(2,4,5-tribromoimidazol-1-yl)methoxy]ethanol

Structural Information

Molecular Formula
C6H7Br3N2O2
SMILES
C(COCN1C(=C(N=C1Br)Br)Br)O
InChI
InChI=1S/C6H7Br3N2O2/c7-4-5(8)11(6(9)10-4)3-13-2-1-12/h12H,1-3H2
InChIKey
RQVCNOSVYKVMSZ-UHFFFAOYSA-N
Compound name
2-[(2,4,5-tribromoimidazol-1-yl)methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.80576 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.81304 137.8
[M+Na]+ 398.79498 146.9
[M-H]- 374.79848 141.6
[M+NH4]+ 393.83958 151.9
[M+K]+ 414.76892 131.8
[M+H-H2O]+ 358.80302 152.3
[M+HCOO]- 420.80396 147.6
[M+CH3COO]- 434.81961 219.8
[M+Na-2H]- 396.78043 142.9
[M]+ 375.80521 179.9
[M]- 375.80631 179.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.