CID 16179

Benzoxazole, 2-(phenylmethyl)-

Structural Information

Molecular Formula
C14H11NO
SMILES
C1=CC=C(C=C1)CC2=NC3=CC=CC=C3O2
InChI
InChI=1S/C14H11NO/c1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2
InChIKey
QHCPEVCCVPNQHM-UHFFFAOYSA-N
Compound name
2-benzyl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

52
Patents

209.08406 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09134 142.7
[M+Na]+ 232.07328 152.9
[M-H]- 208.07678 150.2
[M+NH4]+ 227.11788 161.7
[M+K]+ 248.04722 149.6
[M+H-H2O]+ 192.08132 135.3
[M+HCOO]- 254.08226 167.2
[M+CH3COO]- 268.09791 157.1
[M+Na-2H]- 230.05873 152.0
[M]+ 209.08351 145.7
[M]- 209.08461 145.7
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