CID 2795092

1-methyl-1h-pyrrole-2-carbonyl chloride

Structural Information

Molecular Formula
C6H6ClNO
SMILES
CN1C=CC=C1C(=O)Cl
InChI
InChI=1S/C6H6ClNO/c1-8-4-2-3-5(8)6(7)9/h2-4H,1H3
InChIKey
JOYDZQJINHJNPM-UHFFFAOYSA-N
Compound name
1-methylpyrrole-2-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

340
Patents

143.0138 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.02108 124.9
[M+Na]+ 166.00302 135.2
[M-H]- 142.00652 127.6
[M+NH4]+ 161.04762 147.9
[M+K]+ 181.97696 132.6
[M+H-H2O]+ 126.01106 120.0
[M+HCOO]- 188.01200 144.6
[M+CH3COO]- 202.02765 172.0
[M+Na-2H]- 163.98847 130.0
[M]+ 143.01325 127.2
[M]- 143.01435 127.2
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

patents stripe