CID 67080428

6-chloro-3,4-dihydro-7-hydroxy-2h-1-benzopyran-4-carboxylic acid

Structural Information

Molecular Formula
C10H9ClO4
SMILES
C1COC2=CC(=C(C=C2C1C(=O)O)Cl)O
InChI
InChI=1S/C10H9ClO4/c11-7-3-6-5(10(13)14)1-2-15-9(6)4-8(7)12/h3-5,12H,1-2H2,(H,13,14)
InChIKey
ZBWHVZZJKGPNDS-UHFFFAOYSA-N
Compound name
6-chloro-7-hydroxy-3,4-dihydro-2H-chromene-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

228.01894 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.02622 142.7
[M+Na]+ 251.00816 155.7
[M+NH4]+ 246.05276 150.8
[M+K]+ 266.98210 150.7
[M-H]- 227.01166 144.9
[M+Na-2H]- 248.99361 146.6
[M]+ 228.01839 145.3
[M]- 228.01949 145.3
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

patents stripe