CID 642864

2-(6-bromopyridin-2-yl)acetonitrile

Structural Information

Molecular Formula
C7H5BrN2
SMILES
C1=CC(=NC(=C1)Br)CC#N
InChI
InChI=1S/C7H5BrN2/c8-7-3-1-2-6(10-7)4-5-9/h1-3H,4H2
InChIKey
WUYNZPVTHRDYDT-UHFFFAOYSA-N
Compound name
2-(6-bromopyridin-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

195.96361 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.97089 126.5
[M+Na]+ 218.95283 140.5
[M-H]- 194.95633 129.9
[M+NH4]+ 213.99743 146.1
[M+K]+ 234.92677 129.4
[M+H-H2O]+ 178.96087 119.6
[M+HCOO]- 240.96181 146.7
[M+CH3COO]- 254.97746 193.0
[M+Na-2H]- 216.93828 135.8
[M]+ 195.96306 138.5
[M]- 195.96416 138.5
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