CID 162345164

Ns00132784

Structural Information

Molecular Formula
C14H11ClO4
SMILES
COC1=C(C(=C(C=C1)C(=O)C2=CC=CC=C2O)O)Cl
InChI
InChI=1S/C14H11ClO4/c1-19-11-7-6-9(14(18)12(11)15)13(17)8-4-2-3-5-10(8)16/h2-7,16,18H,1H3
InChIKey
GNVMKVFDXGNJSV-UHFFFAOYSA-N
Compound name
(3-chloro-2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.03458 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.041856 156.3
[M+Na]+ 301.023798 166.3
[M-H]- 277.027304 161.4
[M+NH4]+ 296.068403 172.3
[M+K]+ 316.997738 161.4
[M+H-H2O]+ 261.031840 150.7
[M+HCOO]- 323.032781 173.3
[M+CH3COO]- 337.048431 193.9
[M+Na-2H]- 299.009246 159.2
[M]+ 278.03403142 160.1
[M]- 278.03512858 160.1
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.