CID 155475

70217-01-5

Structural Information

Molecular Formula
C13H8ClNO3
SMILES
C1=CC(=CC=C1O)OC2=NC3=C(O2)C=C(C=C3)Cl
InChI
InChI=1S/C13H8ClNO3/c14-8-1-6-11-12(7-8)18-13(15-11)17-10-4-2-9(16)3-5-10/h1-7,16H
InChIKey
VMFCMPIPSNBHJH-UHFFFAOYSA-N
Compound name
4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

38
Patents

261.01926 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.026536 152.1
[M+Na]+ 284.008478 164.6
[M-H]- 260.011984 159.0
[M+NH4]+ 279.053083 169.6
[M+K]+ 299.982418 160.2
[M+H-H2O]+ 244.016520 145.6
[M+HCOO]- 306.017461 171.0
[M+CH3COO]- 320.033111 166.1
[M+Na-2H]- 281.993926 159.6
[M]+ 261.01871142 158.7
[M]- 261.01980858 158.7
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