CID 72698890

1518839-13-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

212.02402 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.031296 139.8
[M+Na]+ 235.013238 148.4
[M-H]- 211.016744 143.7
[M+NH4]+ 230.057843 158.6
[M+K]+ 250.987178 145.7
[M+H-H2O]+ 195.021280 135.3
[M+HCOO]- 257.022221 154.0
[M+CH3COO]- 271.037871 182.2
[M+Na-2H]- 232.998686 146.3
[M]+ 212.02347142 140.7
[M]- 212.02456858 140.7
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