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

10
Patents

287.0349 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.042176 161.0
[M+Na]+ 310.024118 172.5
[M-H]- 286.027624 167.7
[M+NH4]+ 305.068723 177.2
[M+K]+ 325.998058 167.6
[M+H-H2O]+ 270.032160 154.3
[M+HCOO]- 332.033101 178.4
[M+CH3COO]- 346.048751 174.1
[M+Na-2H]- 308.009566 166.2
[M]+ 287.03435142 167.1
[M]- 287.03544858 167.1
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