CID 53402956

884541-48-4

Structural Information

Molecular Formula
C6H4BrN3
SMILES
C1=CC(=NC(=C1Br)C#N)N
InChI
InChI=1S/C6H4BrN3/c7-4-1-2-6(9)10-5(4)3-8/h1-2H,(H2,9,10)
InChIKey
FCGPVQQWFHMKPO-UHFFFAOYSA-N
Compound name
6-amino-3-bromopyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

196.95886 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.96614 127.9
[M+Na]+ 219.94808 141.9
[M-H]- 195.95158 131.1
[M+NH4]+ 214.99268 146.9
[M+K]+ 235.92202 130.7
[M+H-H2O]+ 179.95612 120.4
[M+HCOO]- 241.95706 148.4
[M+CH3COO]- 255.97271 194.8
[M+Na-2H]- 217.93353 136.0
[M]+ 196.95831 138.1
[M]- 196.95941 138.1
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