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

5
Patents

143.0138 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.021076 124.1
[M+Na]+ 166.003018 135.7
[M-H]- 142.006524 127.1
[M+NH4]+ 161.047623 147.5
[M+K]+ 181.976958 132.6
[M+H-H2O]+ 126.011060 119.4
[M+HCOO]- 188.012001 144.8
[M+CH3COO]- 202.027651 172.3
[M+Na-2H]- 163.988466 129.7
[M]+ 143.01325142 127.3
[M]- 143.01434858 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