CID 53402990

827628-15-9

Structural Information

Molecular Formula
C9H7BrN2
SMILES
C1CC1(C#N)C2=NC=C(C=C2)Br
InChI
InChI=1S/C9H7BrN2/c10-7-1-2-8(12-5-7)9(6-11)3-4-9/h1-2,5H,3-4H2
InChIKey
GGRMZTUSQIMIPA-UHFFFAOYSA-N
Compound name
1-(5-bromopyridin-2-yl)cyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

221.97926 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.98654 139.3
[M+Na]+ 244.96848 159.1
[M-H]- 220.97198 147.9
[M+NH4]+ 240.01308 157.1
[M+K]+ 260.94242 144.6
[M+H-H2O]+ 204.97652 135.0
[M+HCOO]- 266.97746 160.9
[M+CH3COO]- 280.99311 154.6
[M+Na-2H]- 242.95393 149.7
[M]+ 221.97871 154.3
[M]- 221.97981 154.3
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