CID 16226776

164265-01-4

Structural Information

Molecular Formula
C10H9ClO3
SMILES
C1C(COC2=C1C=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C10H9ClO3/c11-8-1-2-9-6(4-8)3-7(5-14-9)10(12)13/h1-2,4,7H,3,5H2,(H,12,13)
InChIKey
UTLYAMDODADLNQ-UHFFFAOYSA-N
Compound name
6-chloro-3,4-dihydro-2H-chromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

212.02402 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03130 139.6
[M+Na]+ 235.01324 153.3
[M+NH4]+ 230.05784 148.7
[M+K]+ 250.98718 147.3
[M-H]- 211.01674 142.9
[M+Na-2H]- 232.99869 144.8
[M]+ 212.02347 142.8
[M]- 212.02457 142.8
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