CID 161830

4,5-dibromo-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C5H3Br2NO2
SMILES
C1=C(NC(=C1Br)Br)C(=O)O
InChI
InChI=1S/C5H3Br2NO2/c6-2-1-3(5(9)10)8-4(2)7/h1,8H,(H,9,10)
InChIKey
ZUROCNHARMFRKA-UHFFFAOYSA-N
Compound name
4,5-dibromo-1H-pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1441
Patents

266.85306 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.86034 135.2
[M+Na]+ 289.84228 147.0
[M-H]- 265.84578 139.4
[M+NH4]+ 284.88688 154.7
[M+K]+ 305.81622 131.3
[M+H-H2O]+ 249.85032 143.2
[M+HCOO]- 311.85126 149.8
[M+CH3COO]- 325.86691 193.7
[M+Na-2H]- 287.82773 140.6
[M]+ 266.85251 167.4
[M]- 266.85361 167.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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