CID 344395

7471-72-9

Structural Information

Molecular Formula
C12H7ClO4
SMILES
COC1=C2C(=C(C3=C1OC(=O)C=C3)Cl)C=CO2
InChI
InChI=1S/C12H7ClO4/c1-15-12-10-7(4-5-16-10)9(13)6-2-3-8(14)17-11(6)12/h2-5H,1H3
InChIKey
KPALAQFALCYBNX-UHFFFAOYSA-N
Compound name
4-chloro-9-methoxyfuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

250.00328 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.01056 146.8
[M+Na]+ 272.99250 161.5
[M-H]- 248.99600 155.4
[M+NH4]+ 268.03710 167.1
[M+K]+ 288.96644 159.3
[M+H-H2O]+ 233.00054 142.5
[M+HCOO]- 295.00148 166.7
[M+CH3COO]- 309.01713 162.8
[M+Na-2H]- 270.97795 156.1
[M]+ 250.00273 157.6
[M]- 250.00383 157.6
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.