CID 11160307

2-(1h-pyrrol-1-ylcarbonyl)benzene-1,3,5-triol

Structural Information

Molecular Formula
C11H9NO4
SMILES
C1=CN(C=C1)C(=O)C2=C(C=C(C=C2O)O)O
InChI
InChI=1S/C11H9NO4/c13-7-5-8(14)10(9(15)6-7)11(16)12-3-1-2-4-12/h1-6,13-15H
InChIKey
RYGSNHBTZDYVSS-UHFFFAOYSA-N
Compound name
pyrrol-1-yl-(2,4,6-trihydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

219.05316 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.060436 144.6
[M+Na]+ 242.042378 153.6
[M-H]- 218.045884 147.2
[M+NH4]+ 237.086983 161.6
[M+K]+ 258.016318 150.1
[M+H-H2O]+ 202.050420 138.4
[M+HCOO]- 264.051361 165.0
[M+CH3COO]- 278.067011 179.3
[M+Na-2H]- 240.027826 147.1
[M]+ 219.05261142 143.9
[M]- 219.05370858 143.9
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

patents stripe