CID 20775007

156072-86-5

Structural Information

Molecular Formula
C7H5BrN2
SMILES
CC1=CC(=CN=C1C#N)Br
InChI
InChI=1S/C7H5BrN2/c1-5-2-6(8)4-10-7(5)3-9/h2,4H,1H3
InChIKey
YPCLLVYLWXIIBW-UHFFFAOYSA-N
Compound name
5-bromo-3-methylpyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

198
Patents

195.96361 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.97089 126.1
[M+Na]+ 218.95283 140.8
[M-H]- 194.95633 129.8
[M+NH4]+ 213.99743 145.9
[M+K]+ 234.92677 129.8
[M+H-H2O]+ 178.96087 119.3
[M+HCOO]- 240.96181 146.3
[M+CH3COO]- 254.97746 193.9
[M+Na-2H]- 216.93828 134.7
[M]+ 195.96306 138.3
[M]- 195.96416 138.3
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