CID 3012560

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

Structural Information

Molecular Formula
C6H7Cl3N2O2
SMILES
C(COCN1C(=C(N=C1Cl)Cl)Cl)O
InChI
InChI=1S/C6H7Cl3N2O2/c7-4-5(8)11(6(9)10-4)3-13-2-1-12/h12H,1-3H2
InChIKey
ISTHBAHJDYXGOH-UHFFFAOYSA-N
Compound name
2-[(2,4,5-trichloroimidazol-1-yl)methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

243.9573 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.96458 144.3
[M+Na]+ 266.94652 155.5
[M-H]- 242.95002 142.6
[M+NH4]+ 261.99112 161.7
[M+K]+ 282.92046 150.4
[M+H-H2O]+ 226.95456 139.3
[M+HCOO]- 288.95550 151.2
[M+CH3COO]- 302.97115 186.8
[M+Na-2H]- 264.93197 146.5
[M]+ 243.95675 148.7
[M]- 243.95785 148.7
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.