CID 119089419

4-bromo-2-nitro-1h-pyrrole

Structural Information

Molecular Formula
C4H3BrN2O2
SMILES
C1=C(NC=C1Br)[N+](=O)[O-]
InChI
InChI=1S/C4H3BrN2O2/c5-3-1-4(6-2-3)7(8)9/h1-2,6H
InChIKey
QRDPPSULJJCBEX-UHFFFAOYSA-N
Compound name
4-bromo-2-nitro-1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.93779 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.945066 131.0
[M+Na]+ 212.927008 143.0
[M-H]- 188.930514 135.5
[M+NH4]+ 207.971613 153.3
[M+K]+ 228.900948 128.8
[M+H-H2O]+ 172.935050 135.3
[M+HCOO]- 234.935991 153.8
[M+CH3COO]- 248.951641 170.0
[M+Na-2H]- 210.912456 140.2
[M]+ 189.93724142 146.9
[M]- 189.93833858 146.9
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

No patent data available for this compound.