CID 133779

Pyrrolomycin c

Structural Information

Molecular Formula
C11H5Cl4NO2
SMILES
C1=C(C=C(C(=C1C(=O)C2=CC(=C(N2)Cl)Cl)O)Cl)Cl
InChI
InChI=1S/C11H5Cl4NO2/c12-4-1-5(9(17)6(13)2-4)10(18)8-3-7(14)11(15)16-8/h1-3,16-17H
InChIKey
WEZZHODHNYWVJY-UHFFFAOYSA-N
Compound name
(3,5-dichloro-2-hydroxyphenyl)-(4,5-dichloro-1H-pyrrol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

18
Patents

322.90744 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.91472 165.8
[M+Na]+ 345.89666 180.4
[M+NH4]+ 340.94126 173.1
[M+K]+ 361.87060 174.3
[M-H]- 321.90016 166.8
[M+Na-2H]- 343.88211 171.1
[M]+ 322.90689 169.1
[M]- 322.90799 169.1
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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