CID 1900666

2h-1-benzopyran-2-one, 7-(3-chloropropoxy)-

Structural Information

Molecular Formula
C12H11ClO3
SMILES
C1=CC(=CC2=C1C=CC(=O)O2)OCCCCl
InChI
InChI=1S/C12H11ClO3/c13-6-1-7-15-10-4-2-9-3-5-12(14)16-11(9)8-10/h2-5,8H,1,6-7H2
InChIKey
HXCBKQXAXRRHQW-UHFFFAOYSA-N
Compound name
7-(3-chloropropoxy)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

238.03967 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.04695 146.4
[M+Na]+ 261.02889 157.0
[M-H]- 237.03239 152.0
[M+NH4]+ 256.07349 165.2
[M+K]+ 277.00283 153.8
[M+H-H2O]+ 221.03693 141.0
[M+HCOO]- 283.03787 165.3
[M+CH3COO]- 297.05352 189.2
[M+Na-2H]- 259.01434 155.3
[M]+ 238.03912 153.4
[M]- 238.04022 153.4
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.