CID 33862

Brn 1399762

Structural Information

Molecular Formula
C17H10ClNO5
SMILES
C1=CC(=CC=C1C(=O)O)NC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl
InChI
InChI=1S/C17H10ClNO5/c18-10-3-6-14-12(7-10)13(20)8-15(24-14)16(21)19-11-4-1-9(2-5-11)17(22)23/h1-8H,(H,19,21)(H,22,23)
InChIKey
SRXKTPVLXFSRIH-UHFFFAOYSA-N
Compound name
4-[(6-chloro-4-oxochromene-2-carbonyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.02475 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.03203 172.8
[M+Na]+ 366.01397 182.5
[M-H]- 342.01747 180.7
[M+NH4]+ 361.05857 185.6
[M+K]+ 381.98791 178.6
[M+H-H2O]+ 326.02201 165.7
[M+HCOO]- 388.02295 189.5
[M+CH3COO]- 402.03860 209.7
[M+Na-2H]- 363.99942 177.7
[M]+ 343.02420 177.7
[M]- 343.02530 177.7
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

No patent data available for this compound.