CID 112786

2-methyl-5-phenylbenzoxazole

Structural Information

Molecular Formula
C14H11NO
SMILES
CC1=NC2=C(O1)C=CC(=C2)C3=CC=CC=C3
InChI
InChI=1S/C14H11NO/c1-10-15-13-9-12(7-8-14(13)16-10)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
CHZDPBVCBBQQRP-UHFFFAOYSA-N
Compound name
2-methyl-5-phenyl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

205
Patents

209.08406 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09134 142.8
[M+Na]+ 232.07328 154.1
[M-H]- 208.07678 150.8
[M+NH4]+ 227.11788 162.2
[M+K]+ 248.04722 150.7
[M+H-H2O]+ 192.08132 135.7
[M+HCOO]- 254.08226 167.4
[M+CH3COO]- 268.09791 157.7
[M+Na-2H]- 230.05873 151.5
[M]+ 209.08351 146.3
[M]- 209.08461 146.3
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