CID 19708610

6-bromo-4-methylpyridine-2-carbonitrile

Structural Information

Molecular Formula
C7H5BrN2
SMILES
CC1=CC(=NC(=C1)Br)C#N
InChI
InChI=1S/C7H5BrN2/c1-5-2-6(4-9)10-7(8)3-5/h2-3H,1H3
InChIKey
PRQDXEIIXGFMQI-UHFFFAOYSA-N
Compound name
6-bromo-4-methylpyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

195.96361 Da
Monoisotopic Mass

2.3
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

No literature data available for this compound.

Patent stripe

patents stripe