CID 15005417

39891-08-2

Structural Information

Molecular Formula
C7H5BrN2
SMILES
C1=C(C=NC=C1Br)CC#N
InChI
InChI=1S/C7H5BrN2/c8-7-3-6(1-2-9)4-10-5-7/h3-5H,1H2
InChIKey
NGSJXAQHUJFHEF-UHFFFAOYSA-N
Compound name
2-(5-bromopyridin-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

195.96361 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.97089 134.4
[M+Na]+ 218.95283 139.2
[M+NH4]+ 213.99743 137.0
[M+K]+ 234.92677 135.4
[M-H]- 194.95633 129.0
[M+Na-2H]- 216.93828 137.1
[M]+ 195.96306 131.9
[M]- 195.96416 131.9
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