CID 105448625

2-(2-chloro-1h-imidazol-5-yl)phenol

Structural Information

Molecular Formula
C9H7ClN2O
SMILES
C1=CC=C(C(=C1)C2=CN=C(N2)Cl)O
InChI
InChI=1S/C9H7ClN2O/c10-9-11-5-7(12-9)6-3-1-2-4-8(6)13/h1-5,13H,(H,11,12)
InChIKey
UYWGULLVGRVRJO-UHFFFAOYSA-N
Compound name
2-(2-chloro-1H-imidazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.02469 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.03197 137.6
[M+Na]+ 217.01391 148.1
[M-H]- 193.01741 139.6
[M+NH4]+ 212.05851 155.8
[M+K]+ 232.98785 142.2
[M+H-H2O]+ 177.02195 131.0
[M+HCOO]- 239.02289 154.3
[M+CH3COO]- 253.03854 150.6
[M+Na-2H]- 214.99936 142.9
[M]+ 194.02414 137.1
[M]- 194.02524 137.1
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.