CID 443193

2-hydroxy-2h-benzo[h]chromene-2-carboxylate

Structural Information

Molecular Formula
C14H10O4
SMILES
C1=CC=C2C(=C1)C=CC3=C2OC(C=C3)(C(=O)O)O
InChI
InChI=1S/C14H10O4/c15-13(16)14(17)8-7-10-6-5-9-3-1-2-4-11(9)12(10)18-14/h1-8,17H,(H,15,16)
InChIKey
JHPCFHVVWPKZJP-UHFFFAOYSA-N
Compound name
2-hydroxybenzo[h]chromene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

242.0579 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06518 149.7
[M+Na]+ 265.04712 158.7
[M-H]- 241.05062 153.7
[M+NH4]+ 260.09172 168.5
[M+K]+ 281.02106 156.1
[M+H-H2O]+ 225.05516 143.7
[M+HCOO]- 287.05610 166.9
[M+CH3COO]- 301.07175 162.1
[M+Na-2H]- 263.03257 159.2
[M]+ 242.05735 150.1
[M]- 242.05845 150.1
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