CID 3015382

4-(chloromethyl)-3-methoxy-9h-xanthen-9-one

Structural Information

Molecular Formula
C15H11ClO3
SMILES
COC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3O2)CCl
InChI
InChI=1S/C15H11ClO3/c1-18-12-7-6-10-14(17)9-4-2-3-5-13(9)19-15(10)11(12)8-16/h2-7H,8H2,1H3
InChIKey
HIPJVGGQFBOFQJ-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-3-methoxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.03967 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.046946 155.1
[M+Na]+ 297.028888 168.5
[M-H]- 273.032394 162.5
[M+NH4]+ 292.073493 173.9
[M+K]+ 313.002828 164.2
[M+H-H2O]+ 257.036930 149.0
[M+HCOO]- 319.037871 174.0
[M+CH3COO]- 333.053521 169.6
[M+Na-2H]- 295.014336 164.8
[M]+ 274.03912142 164.1
[M]- 274.04021858 164.1
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.