CID 3613526

[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methanol

Structural Information

Molecular Formula
C10H8ClNO2
SMILES
C1=CC(=CC=C1C2=CC(=NO2)CO)Cl
InChI
InChI=1S/C10H8ClNO2/c11-8-3-1-7(2-4-8)10-5-9(6-13)12-14-10/h1-5,13H,6H2
InChIKey
WTWQKJNNBWALNH-UHFFFAOYSA-N
Compound name
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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

No literature data available for this compound.

Patent stripe

patents stripe