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 149.6
[M+Na]+ 273.00375 164.8
[M+NH4]+ 268.04835 157.7
[M+K]+ 288.97769 162.0
[M-H]- 249.00725 153.8
[M+Na-2H]- 270.98920 157.3
[M]+ 250.01398 153.1
[M]- 250.01508 153.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.