CID 5465258

72304-21-3

Structural Information

Molecular Formula
C11H7ClO5
SMILES
C1=C(C2=CC(=C(C=C2OC1=O)O)Cl)CC(=O)O
InChI
InChI=1S/C11H7ClO5/c12-7-3-6-5(1-10(14)15)2-11(16)17-9(6)4-8(7)13/h2-4,13H,1H2,(H,14,15)
InChIKey
WJZFYWJXEWRWAG-UHFFFAOYSA-N
Compound name
2-(6-chloro-7-hydroxy-2-oxochromen-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.9982 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.00548 145.9
[M+Na]+ 276.98742 157.5
[M-H]- 252.99092 149.8
[M+NH4]+ 272.03202 162.8
[M+K]+ 292.96136 154.2
[M+H-H2O]+ 236.99546 141.5
[M+HCOO]- 298.99640 161.7
[M+CH3COO]- 313.01205 188.4
[M+Na-2H]- 274.97287 152.1
[M]+ 253.99765 151.3
[M]- 253.99875 151.3
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.