CID 130970190

1805468-66-9

Structural Information

Molecular Formula
C7H7BrFN
SMILES
CC1=CC(=C(N=C1)CBr)F
InChI
InChI=1S/C7H7BrFN/c1-5-2-6(9)7(3-8)10-4-5/h2,4H,3H2,1H3
InChIKey
XNXKBQDNOANQLH-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-3-fluoro-5-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.9746 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.98188 131.6
[M+Na]+ 225.96382 144.9
[M-H]- 201.96732 135.9
[M+NH4]+ 221.00842 153.6
[M+K]+ 241.93776 134.0
[M+H-H2O]+ 185.97186 131.1
[M+HCOO]- 247.97280 152.1
[M+CH3COO]- 261.98845 183.5
[M+Na-2H]- 223.94927 140.0
[M]+ 202.97405 149.6
[M]- 202.97515 149.6
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.