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

9
Patents

212.02402 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03130 139.8
[M+Na]+ 235.01324 148.4
[M-H]- 211.01674 143.7
[M+NH4]+ 230.05784 158.6
[M+K]+ 250.98718 145.7
[M+H-H2O]+ 195.02128 135.3
[M+HCOO]- 257.02222 154.0
[M+CH3COO]- 271.03787 182.2
[M+Na-2H]- 232.99869 146.3
[M]+ 212.02347 140.7
[M]- 212.02457 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