CID 5272162

Salicylbenzoxazole

Structural Information

Molecular Formula
C14H11NO2
SMILES
C1=CC=C(C(=C1)CC2=NC3=CC=CC=C3O2)O
InChI
InChI=1S/C14H11NO2/c16-12-7-3-1-5-10(12)9-14-15-11-6-2-4-8-13(11)17-14/h1-8,16H,9H2
InChIKey
WQFMMTXLUWIJSH-UHFFFAOYSA-N
Compound name
2-(1,3-benzoxazol-2-ylmethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

225.07898 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08626 146.4
[M+Na]+ 248.06820 157.0
[M-H]- 224.07170 153.0
[M+NH4]+ 243.11280 164.3
[M+K]+ 264.04214 153.4
[M+H-H2O]+ 208.07624 139.3
[M+HCOO]- 270.07718 169.6
[M+CH3COO]- 284.09283 160.3
[M+Na-2H]- 246.05365 154.6
[M]+ 225.07843 149.4
[M]- 225.07953 149.4
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.