CID 4738310

155265-57-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
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 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

literature stripe

Patent stripe

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