CID 16643040

52011-76-4

Structural Information

Molecular Formula
C10H7ClO4
SMILES
C1C(OC2=C(C1=O)C=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C10H7ClO4/c11-5-1-2-8-6(3-5)7(12)4-9(15-8)10(13)14/h1-3,9H,4H2,(H,13,14)
InChIKey
RJNYIXPGUIVGJT-UHFFFAOYSA-N
Compound name
6-chloro-4-oxo-2,3-dihydrochromene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

226.00328 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.01056 140.8
[M+Na]+ 248.99250 150.5
[M-H]- 224.99600 145.1
[M+NH4]+ 244.03710 159.2
[M+K]+ 264.96644 147.9
[M+H-H2O]+ 209.00054 136.5
[M+HCOO]- 271.00148 155.4
[M+CH3COO]- 285.01713 184.8
[M+Na-2H]- 246.97795 146.8
[M]+ 226.00273 142.9
[M]- 226.00383 142.9
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