CID 908367

41295-55-0

Structural Information

Molecular Formula
C11H9ClO3
SMILES
COC1=CC2=C(C=C1)C(=CC(=O)O2)CCl
InChI
InChI=1S/C11H9ClO3/c1-14-8-2-3-9-7(6-12)4-11(13)15-10(9)5-8/h2-5H,6H2,1H3
InChIKey
ISPBECDEFRIYTA-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-7-methoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

44
Patents

224.02402 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.03130 141.3
[M+Na]+ 247.01324 153.2
[M-H]- 223.01674 147.5
[M+NH4]+ 242.05784 161.0
[M+K]+ 262.98718 150.4
[M+H-H2O]+ 207.02128 136.3
[M+HCOO]- 269.02222 160.5
[M+CH3COO]- 283.03787 187.4
[M+Na-2H]- 244.99869 150.1
[M]+ 224.02347 148.3
[M]- 224.02457 148.3
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.