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

7
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 161.0
[M+Na]+ 310.02412 172.5
[M-H]- 286.02762 167.7
[M+NH4]+ 305.06872 177.2
[M+K]+ 325.99806 167.6
[M+H-H2O]+ 270.03216 154.3
[M+HCOO]- 332.03310 178.4
[M+CH3COO]- 346.04875 174.1
[M+Na-2H]- 308.00957 166.2
[M]+ 287.03435 167.1
[M]- 287.03545 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