CID 11744750

5-chloro-1-methyl-1h-pyrrole-2-carbaldehyde

Structural Information

Molecular Formula
C6H6ClNO
SMILES
CN1C(=CC=C1Cl)C=O
InChI
InChI=1S/C6H6ClNO/c1-8-5(4-9)2-3-6(8)7/h2-4H,1H3
InChIKey
NYLYJTIWGZDSFW-UHFFFAOYSA-N
Compound name
5-chloro-1-methylpyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

143.0138 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.02108 124.3
[M+Na]+ 166.00302 137.7
[M+NH4]+ 161.04762 133.3
[M+K]+ 181.97696 132.8
[M-H]- 142.00652 125.4
[M+Na-2H]- 163.98847 130.6
[M]+ 143.01325 126.7
[M]- 143.01435 126.7
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

patents stripe