CID 87756

4-chloro-2-(1h-pyrazol-3-yl)phenol

Structural Information

Molecular Formula
C9H7ClN2O
SMILES
C1=CC(=C(C=C1Cl)C2=CC=NN2)O
InChI
InChI=1S/C9H7ClN2O/c10-6-1-2-9(13)7(5-6)8-3-4-11-12-8/h1-5,13H,(H,11,12)
InChIKey
DMGLUMYOLOAXJY-UHFFFAOYSA-N
Compound name
4-chloro-2-(1H-pyrazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

33
Patents

194.02469 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.031966 137.6
[M+Na]+ 217.013908 148.1
[M-H]- 193.017414 139.6
[M+NH4]+ 212.058513 155.8
[M+K]+ 232.987848 142.2
[M+H-H2O]+ 177.021950 131.0
[M+HCOO]- 239.022891 154.3
[M+CH3COO]- 253.038541 150.6
[M+Na-2H]- 214.999356 142.9
[M]+ 194.02414142 137.1
[M]- 194.02523858 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

literature stripe

Patent stripe

patents stripe