CID 99231

O-(5-chloro-2-benzoxazolyl)phenol

Structural Information

Molecular Formula
C13H8ClNO2
SMILES
C1=CC=C(C(=C1)C2=NC3=C(O2)C=CC(=C3)Cl)O
InChI
InChI=1S/C13H8ClNO2/c14-8-5-6-12-10(7-8)15-13(17-12)9-3-1-2-4-11(9)16/h1-7,16H
InChIKey
GJRSVOPSZPJHJE-UHFFFAOYSA-N
Compound name
2-(5-chloro-1,3-benzoxazol-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.02435 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.03163 149.3
[M+Na]+ 268.01357 162.0
[M-H]- 244.01707 156.2
[M+NH4]+ 263.05817 167.6
[M+K]+ 283.98751 157.0
[M+H-H2O]+ 228.02161 143.0
[M+HCOO]- 290.02255 168.1
[M+CH3COO]- 304.03820 163.6
[M+Na-2H]- 265.99902 156.8
[M]+ 245.02380 154.6
[M]- 245.02490 154.6
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.