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

60
Patents

216.97385 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.98113 139.1
[M+Na]+ 239.96307 151.0
[M-H]- 215.96657 143.1
[M+NH4]+ 235.00767 161.1
[M+K]+ 255.93701 140.6
[M+H-H2O]+ 199.97111 139.1
[M+HCOO]- 261.97205 159.5
[M+CH3COO]- 275.98770 180.5
[M+Na-2H]- 237.94852 144.6
[M]+ 216.97330 157.9
[M]- 216.97440 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