CID 157896

Fce 20770

Structural Information

Molecular Formula
C15H11ClO3
SMILES
CC1(C2=CC=CC=C2C3=C(O1)C=CC(=C3)Cl)C(=O)O
InChI
InChI=1S/C15H11ClO3/c1-15(14(17)18)12-5-3-2-4-10(12)11-8-9(16)6-7-13(11)19-15/h2-8H,1H3,(H,17,18)
InChIKey
AEGGBXJLMMKVEI-UHFFFAOYSA-N
Compound name
2-chloro-6-methylbenzo[c]chromene-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

274.03967 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.04695 156.4
[M+Na]+ 297.02889 167.2
[M-H]- 273.03239 161.7
[M+NH4]+ 292.07349 175.9
[M+K]+ 313.00283 162.9
[M+H-H2O]+ 257.03693 151.1
[M+HCOO]- 319.03787 170.0
[M+CH3COO]- 333.05352 169.2
[M+Na-2H]- 295.01434 164.5
[M]+ 274.03912 160.1
[M]- 274.04022 160.1
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