CID 3780063

1-(2-chloro-5-nitrophenyl)-1h-pyrrole-2-carbaldehyde

Structural Information

Molecular Formula
C11H7ClN2O3
SMILES
C1=CN(C(=C1)C=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C11H7ClN2O3/c12-10-4-3-8(14(16)17)6-11(10)13-5-1-2-9(13)7-15/h1-7H
InChIKey
DYZJTEXKBQVPQV-UHFFFAOYSA-N
Compound name
1-(2-chloro-5-nitrophenyl)pyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.01453 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.02181 152.5
[M+Na]+ 273.00375 162.0
[M-H]- 249.00725 158.5
[M+NH4]+ 268.04835 170.1
[M+K]+ 288.97769 153.6
[M+H-H2O]+ 233.01179 150.5
[M+HCOO]- 295.01273 174.0
[M+CH3COO]- 309.02838 185.2
[M+Na-2H]- 270.98920 158.1
[M]+ 250.01398 154.3
[M]- 250.01508 154.3
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.