CID 11651225

1-(2-bromoethyl)pyrrole

Structural Information

Molecular Formula
C6H8BrN
SMILES
C1=CN(C=C1)CCBr
InChI
InChI=1S/C6H8BrN/c7-3-6-8-4-1-2-5-8/h1-2,4-5H,3,6H2
InChIKey
QBAVHEZVBGASER-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

328
Patents

172.98401 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.99129 129.1
[M+Na]+ 195.97323 141.3
[M-H]- 171.97673 134.2
[M+NH4]+ 191.01783 153.5
[M+K]+ 211.94717 131.4
[M+H-H2O]+ 155.98127 129.3
[M+HCOO]- 217.98221 151.7
[M+CH3COO]- 231.99786 176.3
[M+Na-2H]- 193.95868 137.5
[M]+ 172.98346 147.7
[M]- 172.98456 147.7
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