CID 184057

1,3-benzoxazol-2-yl(phenyl)methanol

Structural Information

Molecular Formula
C14H11NO2
SMILES
C1=CC=C(C=C1)C(C2=NC3=CC=CC=C3O2)O
InChI
InChI=1S/C14H11NO2/c16-13(10-6-2-1-3-7-10)14-15-11-8-4-5-9-12(11)17-14/h1-9,13,16H
InChIKey
MLXGYLWCLJAJCO-UHFFFAOYSA-N
Compound name
1,3-benzoxazol-2-yl(phenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

225.07898 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08626 146.7
[M+Na]+ 248.06820 156.0
[M-H]- 224.07170 153.1
[M+NH4]+ 243.11280 164.2
[M+K]+ 264.04214 152.9
[M+H-H2O]+ 208.07624 139.5
[M+HCOO]- 270.07718 168.9
[M+CH3COO]- 284.09283 160.2
[M+Na-2H]- 246.05365 154.5
[M]+ 225.07843 148.7
[M]- 225.07953 148.7
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