CID 155321

2,3,4-tribromo-1h-pyrrole

Structural Information

Molecular Formula
C4H2Br3N
SMILES
C1=C(C(=C(N1)Br)Br)Br
InChI
InChI=1S/C4H2Br3N/c5-2-1-8-4(7)3(2)6/h1,8H
InChIKey
KYSLACCYHUAOAK-UHFFFAOYSA-N
Compound name
2,3,4-tribromo-1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

20
Patents

300.77374 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.78102 131.5
[M+Na]+ 323.76296 141.2
[M-H]- 299.76646 136.3
[M+NH4]+ 318.80756 148.0
[M+K]+ 339.73690 125.9
[M+H-H2O]+ 283.77100 146.9
[M+HCOO]- 345.77194 142.3
[M+CH3COO]- 359.78759 212.5
[M+Na-2H]- 321.74841 137.5
[M]+ 300.77319 171.3
[M]- 300.77429 171.3
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