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

95
Patents

205.02943 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.036706 141.1
[M+Na]+ 228.018648 151.9
[M-H]- 204.022154 146.9
[M+NH4]+ 223.063253 161.6
[M+K]+ 243.992588 146.8
[M+H-H2O]+ 188.026690 134.6
[M+HCOO]- 250.027631 161.7
[M+CH3COO]- 264.043281 182.8
[M+Na-2H]- 226.004096 146.2
[M]+ 205.02888142 143.9
[M]- 205.02997858 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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