CID 15346823

4-bromo-1h-pyrrole-2-carboxamide

Structural Information

Molecular Formula
C5H5BrN2O
SMILES
C1=C(NC=C1Br)C(=O)N
InChI
InChI=1S/C5H5BrN2O/c6-3-1-4(5(7)9)8-2-3/h1-2,8H,(H2,7,9)
InChIKey
ZDOSNCDGCSOFIE-UHFFFAOYSA-N
Compound name
4-bromo-1H-pyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

187.95853 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.96581 131.4
[M+Na]+ 210.94775 143.2
[M-H]- 186.95125 135.1
[M+NH4]+ 205.99235 153.8
[M+K]+ 226.92169 132.0
[M+H-H2O]+ 170.95579 130.9
[M+HCOO]- 232.95673 152.5
[M+CH3COO]- 246.97238 177.5
[M+Na-2H]- 208.93320 137.2
[M]+ 187.95798 146.5
[M]- 187.95908 146.5
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