CID 3039778

51234-85-6

Structural Information

Molecular Formula
C15H10ClNO3
SMILES
C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)CC(=O)O)Cl
InChI
InChI=1S/C15H10ClNO3/c16-11-4-2-10(3-5-11)15-17-12-7-9(8-14(18)19)1-6-13(12)20-15/h1-7H,8H2,(H,18,19)
InChIKey
MQBAVJCSIXDBPU-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

287.0349 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.04218 160.4
[M+Na]+ 310.02412 176.9
[M+NH4]+ 305.06872 168.8
[M+K]+ 325.99806 171.3
[M-H]- 286.02762 165.2
[M+Na-2H]- 308.00957 168.3
[M]+ 287.03435 164.6
[M]- 287.03545 164.6
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

patents stripe