CID 272425

1-(4-chlorophenyl)-1h-pyrrole

Structural Information

Molecular Formula
C10H8ClN
SMILES
C1=CN(C=C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H8ClN/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8H
InChIKey
LTOQUFIOYDCJFJ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)pyrrole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

125
Patents

177.03453 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04181 134.4
[M+Na]+ 200.02375 144.5
[M-H]- 176.02725 140.0
[M+NH4]+ 195.06835 155.8
[M+K]+ 215.99769 139.8
[M+H-H2O]+ 160.03179 127.9
[M+HCOO]- 222.03273 154.9
[M+CH3COO]- 236.04838 148.9
[M+Na-2H]- 198.00920 140.8
[M]+ 177.03398 135.7
[M]- 177.03508 135.7
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