CID 21928322

450844-27-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
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 133.2
[M+Na]+ 218.95283 138.3
[M+NH4]+ 213.99743 135.8
[M+K]+ 234.92677 134.7
[M-H]- 194.95633 127.8
[M+Na-2H]- 216.93828 135.8
[M]+ 195.96306 130.7
[M]- 195.96416 130.7
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