CID 54690345

61503-82-0

Structural Information

Molecular Formula
C10H7ClO4
SMILES
COC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)O
InChI
InChI=1S/C10H7ClO4/c1-14-5-2-3-6-7(4-5)15-10(13)8(11)9(6)12/h2-4,12H,1H3
InChIKey
JHKWIWSZBVLBAN-UHFFFAOYSA-N
Compound name
3-chloro-4-hydroxy-7-methoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.00328 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.01056 139.4
[M+Na]+ 248.99250 152.1
[M-H]- 224.99600 144.8
[M+NH4]+ 244.03710 158.5
[M+K]+ 264.96644 149.3
[M+H-H2O]+ 209.00054 135.0
[M+HCOO]- 271.00148 157.7
[M+CH3COO]- 285.01713 185.3
[M+Na-2H]- 246.97795 147.8
[M]+ 226.00273 146.2
[M]- 226.00383 146.2
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

No patent data available for this compound.