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

7
Patents

274.03967 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.046946 156.4
[M+Na]+ 297.028888 167.2
[M-H]- 273.032394 161.7
[M+NH4]+ 292.073493 175.9
[M+K]+ 313.002828 162.9
[M+H-H2O]+ 257.036930 151.1
[M+HCOO]- 319.037871 170.0
[M+CH3COO]- 333.053521 169.2
[M+Na-2H]- 295.014336 164.5
[M]+ 274.03912142 160.1
[M]- 274.04021858 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