CID 72942509

2-bromo-3,6-difluoropyridine

Structural Information

Molecular Formula
C5H2BrF2N
SMILES
C1=CC(=NC(=C1F)Br)F
InChI
InChI=1S/C5H2BrF2N/c6-5-3(7)1-2-4(8)9-5/h1-2H
InChIKey
SXNOETYVINFCJZ-UHFFFAOYSA-N
Compound name
2-bromo-3,6-difluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
Patents

192.93387 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.94115 126.0
[M+Na]+ 215.92309 140.2
[M-H]- 191.92659 129.4
[M+NH4]+ 210.96769 148.3
[M+K]+ 231.89703 129.3
[M+H-H2O]+ 175.93113 125.0
[M+HCOO]- 237.93207 146.2
[M+CH3COO]- 251.94772 180.4
[M+Na-2H]- 213.90854 134.9
[M]+ 192.93332 142.3
[M]- 192.93442 142.3
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