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]+ 238.98146 141.3
[M+Na]+ 260.96340 160.7
[M-H]- 236.96690 149.6
[M+NH4]+ 256.00800 157.1
[M+K]+ 276.93734 146.3
[M+H-H2O]+ 220.97144 135.9
[M+HCOO]- 282.97238 163.1
[M+CH3COO]- 296.98803 201.8
[M+Na-2H]- 258.94885 150.1
[M]+ 237.97363 157.2
[M]- 237.97473 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.