CID 57203670

1-(2,6-dibromophenyl)-1h-pyrrole

Structural Information

Molecular Formula
C10H7Br2N
SMILES
C1=CN(C=C1)C2=C(C=CC=C2Br)Br
InChI
InChI=1S/C10H7Br2N/c11-8-4-3-5-9(12)10(8)13-6-1-2-7-13/h1-7H
InChIKey
DFSHJVXKRFBSOG-UHFFFAOYSA-N
Compound name
1-(2,6-dibromophenyl)pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

298.89453 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.90181 143.8
[M+Na]+ 321.88375 155.9
[M-H]- 297.88725 152.5
[M+NH4]+ 316.92835 163.7
[M+K]+ 337.85769 141.0
[M+H-H2O]+ 281.89179 152.2
[M+HCOO]- 343.89273 161.3
[M+CH3COO]- 357.90838 158.7
[M+Na-2H]- 319.86920 150.7
[M]+ 298.89398 177.9
[M]- 298.89508 177.9
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

patents stripe