CID 4199500

4-chloro-2-(5-isoxazolyl)phenol

Structural Information

Molecular Formula
C9H6ClNO2
SMILES
C1=CC(=C(C=C1Cl)C2=CC=NO2)O
InChI
InChI=1S/C9H6ClNO2/c10-6-1-2-8(12)7(5-6)9-3-4-11-13-9/h1-5,12H
InChIKey
AAJXJLYUWKMQNO-UHFFFAOYSA-N
Compound name
4-chloro-2-(1,2-oxazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

50
Patents

195.00871 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.015986 136.2
[M+Na]+ 217.997928 147.1
[M-H]- 194.001434 141.6
[M+NH4]+ 213.042533 155.1
[M+K]+ 233.971868 143.8
[M+H-H2O]+ 178.005970 130.3
[M+HCOO]- 240.006911 155.0
[M+CH3COO]- 254.022561 150.6
[M+Na-2H]- 215.983376 142.7
[M]+ 195.00816142 139.1
[M]- 195.00925858 139.1
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