CID 596929

6-chloro-2h-chromene-3-carboxylic acid

Structural Information

Molecular Formula
C10H7ClO3
SMILES
C1C(=CC2=C(O1)C=CC(=C2)Cl)C(=O)O
InChI
InChI=1S/C10H7ClO3/c11-8-1-2-9-6(4-8)3-7(5-14-9)10(12)13/h1-4H,5H2,(H,12,13)
InChIKey
ZRCGKWSNRRTAJY-UHFFFAOYSA-N
Compound name
6-chloro-2H-chromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

193
Patents

210.00838 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.01566 138.4
[M+Na]+ 232.99760 153.0
[M+NH4]+ 228.04220 147.5
[M+K]+ 248.97154 146.8
[M-H]- 209.00110 141.8
[M+Na-2H]- 230.98305 144.5
[M]+ 210.00783 141.7
[M]- 210.00893 141.7
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

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