CID 43931

62143-69-5

Structural Information

Molecular Formula
C15H11NO3
SMILES
C1=CC=C(C=C1)C2=NC3=C(O2)C=C(C=C3)CC(=O)O
InChI
InChI=1S/C15H11NO3/c17-14(18)9-10-6-7-12-13(8-10)19-15(16-12)11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18)
InChIKey
WZZFSFRRNAKILX-UHFFFAOYSA-N
Compound name
2-(2-phenyl-1,3-benzoxazol-6-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

80
Patents

253.0739 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08118 153.8
[M+Na]+ 276.06312 163.7
[M-H]- 252.06662 160.4
[M+NH4]+ 271.10772 170.3
[M+K]+ 292.03706 160.4
[M+H-H2O]+ 236.07116 146.5
[M+HCOO]- 298.07210 176.0
[M+CH3COO]- 312.08775 167.1
[M+Na-2H]- 274.04857 160.3
[M]+ 253.07335 157.3
[M]- 253.07445 157.3
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