CID 73554756

3-bromo-1-methyl-1h-pyrrole-2-carbonitrile

Structural Information

Molecular Formula
C6H5BrN2
SMILES
CN1C=CC(=C1C#N)Br
InChI
InChI=1S/C6H5BrN2/c1-9-3-2-5(7)6(9)4-8/h2-3H,1H3
InChIKey
OQBXBVPNICHTOS-UHFFFAOYSA-N
Compound name
3-bromo-1-methylpyrrole-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

183.96361 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.97089 134.1
[M+Na]+ 206.95283 137.7
[M+NH4]+ 201.99743 136.5
[M+K]+ 222.92677 135.8
[M-H]- 182.95633 127.9
[M+Na-2H]- 204.93828 135.1
[M]+ 183.96306 131.0
[M]- 183.96416 131.0
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