CID 2442320

1-[(2-chlorophenyl)methyl]-2,5-dimethyl-1h-pyrrole

Structural Information

Molecular Formula
C13H14ClN
SMILES
CC1=CC=C(N1CC2=CC=CC=C2Cl)C
InChI
InChI=1S/C13H14ClN/c1-10-7-8-11(2)15(10)9-12-5-3-4-6-13(12)14/h3-8H,9H2,1-2H3
InChIKey
CJCMJPGNMBFFDC-UHFFFAOYSA-N
Compound name
1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

219.08148 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.08876 147.8
[M+Na]+ 242.07070 158.5
[M-H]- 218.07420 153.6
[M+NH4]+ 237.11530 168.2
[M+K]+ 258.04464 153.0
[M+H-H2O]+ 202.07874 141.3
[M+HCOO]- 264.07968 167.3
[M+CH3COO]- 278.09533 188.8
[M+Na-2H]- 240.05615 151.1
[M]+ 219.08093 150.9
[M]- 219.08203 150.9
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

No patent data available for this compound.