CID 72230890

2-bromo-5-cyclopropoxypyridine-4-carbonitrile

Structural Information

Molecular Formula
C9H7BrN2O
SMILES
C1CC1OC2=CN=C(C=C2C#N)Br
InChI
InChI=1S/C9H7BrN2O/c10-9-3-6(4-11)8(5-12-9)13-7-1-2-7/h3,5,7H,1-2H2
InChIKey
BIGZQLXWXHEDFG-UHFFFAOYSA-N
Compound name
2-bromo-5-cyclopropyloxypyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.97418 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.981456 141.3
[M+Na]+ 260.963398 160.7
[M-H]- 236.966904 149.6
[M+NH4]+ 256.008003 157.1
[M+K]+ 276.937338 146.3
[M+H-H2O]+ 220.971440 135.9
[M+HCOO]- 282.972381 163.1
[M+CH3COO]- 296.988031 201.8
[M+Na-2H]- 258.948846 150.1
[M]+ 237.97363142 157.2
[M]- 237.97472858 157.2
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

No patent data available for this compound.