CID 324093

2,4-dibromo-6-(3,4,5-tribromo-1h-pyrrol-2-yl)phenol

Structural Information

Molecular Formula
C10H4Br5NO
SMILES
C1=C(C=C(C(=C1C2=C(C(=C(N2)Br)Br)Br)O)Br)Br
InChI
InChI=1S/C10H4Br5NO/c11-3-1-4(9(17)5(12)2-3)8-6(13)7(14)10(15)16-8/h1-2,16-17H
InChIKey
LXMNWKJHYOZUQL-UHFFFAOYSA-N
Compound name
2,4-dibromo-6-(3,4,5-tribromo-1H-pyrrol-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

40
Patents

548.621 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.62828 169.3
[M+Na]+ 571.61022 176.5
[M-H]- 547.61372 172.9
[M+NH4]+ 566.65482 176.3
[M+K]+ 587.58416 165.3
[M+H-H2O]+ 531.61826 186.7
[M+HCOO]- 593.61920 172.4
[M+CH3COO]- 607.63485 173.8
[M+Na-2H]- 569.59567 168.6
[M]+ 548.62045 199.5
[M]- 548.62155 199.5
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