CID 5272169

2-benzoxazolemethanol, 5-chloro-a-methyl-a-phenyl-

Structural Information

Molecular Formula
C15H12ClNO2
SMILES
CC(C1=CC=CC=C1)(C2=NC3=C(O2)C=CC(=C3)Cl)O
InChI
InChI=1S/C15H12ClNO2/c1-15(18,10-5-3-2-4-6-10)14-17-12-9-11(16)7-8-13(12)19-14/h2-9,18H,1H3
InChIKey
HFOAUJXFGKQIIQ-UHFFFAOYSA-N
Compound name
1-(5-chloro-1,3-benzoxazol-2-yl)-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.05566 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.06294 159.7
[M+Na]+ 296.04488 170.9
[M-H]- 272.04838 166.2
[M+NH4]+ 291.08948 176.6
[M+K]+ 312.01882 166.0
[M+H-H2O]+ 256.05292 153.3
[M+HCOO]- 318.05386 176.1
[M+CH3COO]- 332.06951 172.8
[M+Na-2H]- 294.03033 167.5
[M]+ 273.05511 164.7
[M]- 273.05621 164.7
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

No patent data available for this compound.