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-bromo-2-pyridinyl)cyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

221.97926 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.986536 139.3
[M+Na]+ 244.968478 159.1
[M-H]- 220.971984 147.9
[M+NH4]+ 240.013083 157.1
[M+K]+ 260.942418 144.6
[M+H-H2O]+ 204.976520 135.0
[M+HCOO]- 266.977461 160.9
[M+CH3COO]- 280.993111 154.6
[M+Na-2H]- 242.953926 149.7
[M]+ 221.97871142 154.3
[M]- 221.97980858 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