CID 56776530

4-bromo-1h-pyrrole-2-carbonitrile

Structural Information

Molecular Formula
C5H3BrN2
SMILES
C1=C(NC=C1Br)C#N
InChI
InChI=1S/C5H3BrN2/c6-4-1-5(2-7)8-3-4/h1,3,8H
InChIKey
MDGARDUARHMMAR-UHFFFAOYSA-N
Compound name
4-bromo-1H-pyrrole-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

169.94797 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.95525 132.3
[M+Na]+ 192.93719 135.4
[M+NH4]+ 187.98179 134.5
[M+K]+ 208.91113 133.6
[M-H]- 168.94069 125.7
[M+Na-2H]- 190.92264 133.2
[M]+ 169.94742 129.0
[M]- 169.94852 129.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe