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 124.1
[M+Na]+ 166.00302 135.7
[M-H]- 142.00652 127.1
[M+NH4]+ 161.04762 147.5
[M+K]+ 181.97696 132.6
[M+H-H2O]+ 126.01106 119.4
[M+HCOO]- 188.01200 144.8
[M+CH3COO]- 202.02765 172.3
[M+Na-2H]- 163.98847 129.7
[M]+ 143.01325 127.3
[M]- 143.01435 127.3
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

patents stripe