CID 55300569

2-chloro-3-nitro-1h-pyrrole

Structural Information

Molecular Formula
C4H3ClN2O2
SMILES
C1=CNC(=C1[N+](=O)[O-])Cl
InChI
InChI=1S/C4H3ClN2O2/c5-4-3(7(8)9)1-2-6-4/h1-2,6H
InChIKey
DRVGSTOYBHWTRB-UHFFFAOYSA-N
Compound name
2-chloro-3-nitro-1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

145.98831 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.995586 124.4
[M+Na]+ 168.977528 133.6
[M-H]- 144.981034 125.7
[M+NH4]+ 164.022133 145.5
[M+K]+ 184.951468 126.6
[M+H-H2O]+ 128.985570 124.4
[M+HCOO]- 190.986511 145.0
[M+CH3COO]- 205.002161 162.4
[M+Na-2H]- 166.962976 132.2
[M]+ 145.98776142 122.7
[M]- 145.98885858 122.7
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