CID 57484709

1112851-37-2

Structural Information

Molecular Formula
C7H5BrN2O
SMILES
COC1=C(N=C(C=C1)C#N)Br
InChI
InChI=1S/C7H5BrN2O/c1-11-6-3-2-5(4-9)10-7(6)8/h2-3H,1H3
InChIKey
VDEZFORNGSDBIW-UHFFFAOYSA-N
Compound name
6-bromo-5-methoxypyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

211.95853 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.96581 128.1
[M+Na]+ 234.94775 142.7
[M-H]- 210.95125 131.8
[M+NH4]+ 229.99235 147.3
[M+K]+ 250.92169 132.2
[M+H-H2O]+ 194.95579 121.1
[M+HCOO]- 256.95673 148.5
[M+CH3COO]- 270.97238 195.6
[M+Na-2H]- 232.93320 136.8
[M]+ 211.95798 141.6
[M]- 211.95908 141.6
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