CID 2763374

1-[3-(4-chlorophenyl)-5-isoxazolyl]-1-ethanol

Structural Information

Molecular Formula
C11H10ClNO2
SMILES
CC(C1=CC(=NO1)C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C11H10ClNO2/c1-7(14)11-6-10(13-15-11)8-2-4-9(12)5-3-8/h2-7,14H,1H3
InChIKey
SQYVFTREWNTIKO-UHFFFAOYSA-N
Compound name
1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

223.04001 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.04729 145.8
[M+Na]+ 246.02923 155.6
[M-H]- 222.03273 151.1
[M+NH4]+ 241.07383 163.5
[M+K]+ 262.00317 152.2
[M+H-H2O]+ 206.03727 139.7
[M+HCOO]- 268.03821 163.0
[M+CH3COO]- 282.05386 183.9
[M+Na-2H]- 244.01468 150.1
[M]+ 223.03946 148.9
[M]- 223.04056 148.9
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