CID 13152807

Methyl 3,4,5-tribromo-1h-pyrrole-2-carboxylate

Structural Information

Molecular Formula
C6H4Br3NO2
SMILES
COC(=O)C1=C(C(=C(N1)Br)Br)Br
InChI
InChI=1S/C6H4Br3NO2/c1-12-6(11)4-2(7)3(8)5(9)10-4/h10H,1H3
InChIKey
JKARVVJCKXGAHO-UHFFFAOYSA-N
Compound name
methyl 3,4,5-tribromo-1H-pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.7792 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.78648 158.5
[M+Na]+ 381.76842 150.8
[M+NH4]+ 376.81302 159.1
[M+K]+ 397.74236 159.8
[M-H]- 357.77192 159.4
[M+Na-2H]- 379.75387 158.6
[M]+ 358.77865 157.4
[M]- 358.77975 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.