CID 57466605

3-bromo-5-cyclopropylpyridine

Structural Information

Molecular Formula
C8H8BrN
SMILES
C1CC1C2=CC(=CN=C2)Br
InChI
InChI=1S/C8H8BrN/c9-8-3-7(4-10-5-8)6-1-2-6/h3-6H,1-2H2
InChIKey
SZQYSKHKTIIDKN-UHFFFAOYSA-N
Compound name
3-bromo-5-cyclopropylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

196.98401 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.99129 135.2
[M+Na]+ 219.97323 149.1
[M-H]- 195.97673 144.2
[M+NH4]+ 215.01783 152.6
[M+K]+ 235.94717 138.0
[M+H-H2O]+ 179.98127 134.4
[M+HCOO]- 241.98221 157.1
[M+CH3COO]- 255.99786 150.8
[M+Na-2H]- 217.95868 144.4
[M]+ 196.98346 154.4
[M]- 196.98456 154.4
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