CID 59559613

Ethyl 5-bromo-1h-pyrrole-2-carboxylate

Structural Information

Molecular Formula
C7H8BrNO2
SMILES
CCOC(=O)C1=CC=C(N1)Br
InChI
InChI=1S/C7H8BrNO2/c1-2-11-7(10)5-3-4-6(8)9-5/h3-4,9H,2H2,1H3
InChIKey
MAWSPHLRAHWQKY-UHFFFAOYSA-N
Compound name
ethyl 5-bromo-1H-pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

216.97385 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.981126 139.1
[M+Na]+ 239.963068 151.0
[M-H]- 215.966574 143.1
[M+NH4]+ 235.007673 161.1
[M+K]+ 255.937008 140.6
[M+H-H2O]+ 199.971110 139.1
[M+HCOO]- 261.972051 159.5
[M+CH3COO]- 275.987701 180.5
[M+Na-2H]- 237.948516 144.6
[M]+ 216.97330142 157.9
[M]- 216.97439858 157.9
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

patents stripe