CID 2763309

[3-(4-chlorophenyl)-5-isoxazolyl]methanol

Structural Information

Molecular Formula
C10H8ClNO2
SMILES
C1=CC(=CC=C1C2=NOC(=C2)CO)Cl
InChI
InChI=1S/C10H8ClNO2/c11-8-3-1-7(2-4-8)10-5-9(6-13)14-12-10/h1-5,13H,6H2
InChIKey
YJIXYDFXXAWEMH-UHFFFAOYSA-N
Compound name
[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

209.02435 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.031626 140.9
[M+Na]+ 232.013568 151.4
[M-H]- 208.017074 146.2
[M+NH4]+ 227.058173 159.3
[M+K]+ 247.987508 147.8
[M+H-H2O]+ 192.021610 134.9
[M+HCOO]- 254.022551 159.4
[M+CH3COO]- 268.038201 154.9
[M+Na-2H]- 229.999016 146.9
[M]+ 209.02380142 144.2
[M]- 209.02489858 144.2
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