CID 5272164

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

Structural Information

Molecular Formula
C14H10ClNO2
SMILES
C1=CC=C(C=C1)C(C2=NC3=C(O2)C=CC(=C3)Cl)O
InChI
InChI=1S/C14H10ClNO2/c15-10-6-7-12-11(8-10)16-14(18-12)13(17)9-4-2-1-3-5-9/h1-8,13,17H
InChIKey
YIEURHGSXLGCMZ-UHFFFAOYSA-N
Compound name
(5-chloro-1,3-benzoxazol-2-yl)-phenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.04 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.04728 154.0
[M+Na]+ 282.02922 165.0
[M-H]- 258.03272 160.5
[M+NH4]+ 277.07382 171.3
[M+K]+ 298.00316 160.2
[M+H-H2O]+ 242.03726 147.4
[M+HCOO]- 304.03820 171.5
[M+CH3COO]- 318.05385 167.3
[M+Na-2H]- 280.01467 160.5
[M]+ 259.03945 158.6
[M]- 259.04055 158.6
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

No patent data available for this compound.