CID 854042

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

Structural Information

Molecular Formula
C10H8ClNO2
SMILES
CC1=CC(=C(C=C1Cl)C2=CC=NO2)O
InChI
InChI=1S/C10H8ClNO2/c1-6-4-9(13)7(5-8(6)11)10-2-3-12-14-10/h2-5,13H,1H3
InChIKey
UTQSNRFGRKTOHC-UHFFFAOYSA-N
Compound name
4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

15
Patents

209.02435 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.03163 140.8
[M+Na]+ 232.01357 152.3
[M-H]- 208.01707 146.5
[M+NH4]+ 227.05817 159.5
[M+K]+ 247.98751 148.7
[M+H-H2O]+ 192.02161 135.1
[M+HCOO]- 254.02255 159.3
[M+CH3COO]- 268.03820 155.1
[M+Na-2H]- 229.99902 146.1
[M]+ 209.02380 144.5
[M]- 209.02490 144.5
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