CID 33137

Pyoluteorin

Structural Information

Molecular Formula
C11H7Cl2NO3
SMILES
C1=CC(=C(C(=C1)O)C(=O)C2=CC(=C(N2)Cl)Cl)O
InChI
InChI=1S/C11H7Cl2NO3/c12-5-4-6(14-11(5)13)10(17)9-7(15)2-1-3-8(9)16/h1-4,14-16H
InChIKey
JPGWTZORMBTNMF-UHFFFAOYSA-N
Compound name
(4,5-dichloro-1H-pyrrol-2-yl)-(2,6-dihydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

79
References

151
Patents

270.9803 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.98758 154.1
[M+Na]+ 293.96952 167.7
[M+NH4]+ 289.01412 161.2
[M+K]+ 309.94346 163.6
[M-H]- 269.97302 155.0
[M+Na-2H]- 291.95497 159.6
[M]+ 270.97975 156.7
[M]- 270.98085 156.7
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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