CID 737212

1-(4-chlorophenyl)-1h-pyrrole-2-carbaldehyde

Structural Information

Molecular Formula
C11H8ClNO
SMILES
C1=CN(C(=C1)C=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H8ClNO/c12-9-3-5-10(6-4-9)13-7-1-2-11(13)8-14/h1-8H
InChIKey
NNQOVJLQFYROBU-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)pyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

205.02943 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.03671 141.1
[M+Na]+ 228.01865 151.9
[M-H]- 204.02215 146.9
[M+NH4]+ 223.06325 161.6
[M+K]+ 243.99259 146.8
[M+H-H2O]+ 188.02669 134.6
[M+HCOO]- 250.02763 161.7
[M+CH3COO]- 264.04328 182.8
[M+Na-2H]- 226.00410 146.2
[M]+ 205.02888 143.9
[M]- 205.02998 143.9
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

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