CID 66600002

5-(1-bromoethyl)-2-fluoropyridine

Structural Information

Molecular Formula
C7H7BrFN
SMILES
CC(C1=CN=C(C=C1)F)Br
InChI
InChI=1S/C7H7BrFN/c1-5(8)6-2-3-7(9)10-4-6/h2-5H,1H3
InChIKey
QFUSNVQYUWJDPB-UHFFFAOYSA-N
Compound name
5-(1-bromoethyl)-2-fluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

202.9746 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.98188 132.7
[M+Na]+ 225.96382 144.9
[M-H]- 201.96732 136.8
[M+NH4]+ 221.00842 154.3
[M+K]+ 241.93776 134.4
[M+H-H2O]+ 185.97186 132.1
[M+HCOO]- 247.97280 152.3
[M+CH3COO]- 261.98845 183.2
[M+Na-2H]- 223.94927 140.6
[M]+ 202.97405 149.8
[M]- 202.97515 149.8
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