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]+ 239.046946 146.4
[M+Na]+ 261.028888 157.0
[M-H]- 237.032394 152.0
[M+NH4]+ 256.073493 165.2
[M+K]+ 277.002828 153.8
[M+H-H2O]+ 221.036930 141.0
[M+HCOO]- 283.037871 165.3
[M+CH3COO]- 297.053521 189.2
[M+Na-2H]- 259.014336 155.3
[M]+ 238.03912142 153.4
[M]- 238.04021858 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

literature stripe

Patent stripe

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