CID 6918012

5-chloro-3-phenyl-7,8-dihydrofuro[2,3-g][1,2]benzoxazole-7-carboxylic acid

Structural Information

Molecular Formula
C16H10ClNO4
SMILES
C1C(OC2=C(C=C3C(=C21)ON=C3C4=CC=CC=C4)Cl)C(=O)O
InChI
InChI=1S/C16H10ClNO4/c17-11-6-9-13(8-4-2-1-3-5-8)18-22-14(9)10-7-12(16(19)20)21-15(10)11/h1-6,12H,7H2,(H,19,20)
InChIKey
RVKIPRIYUGLRFF-UHFFFAOYSA-N
Compound name
5-chloro-3-phenyl-7,8-dihydrofuro[2,3-g][1,2]benzoxazole-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

315.02985 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.03713 168.0
[M+Na]+ 338.01907 180.0
[M-H]- 314.02257 176.7
[M+NH4]+ 333.06367 184.6
[M+K]+ 353.99301 176.6
[M+H-H2O]+ 298.02711 162.7
[M+HCOO]- 360.02805 183.3
[M+CH3COO]- 374.04370 181.1
[M+Na-2H]- 336.00452 171.3
[M]+ 315.02930 175.1
[M]- 315.03040 175.1
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