CID 84788468

2-bromo-4-(1,1-difluoroethyl)pyridine

Structural Information

Molecular Formula
C7H6BrF2N
SMILES
CC(C1=CC(=NC=C1)Br)(F)F
InChI
InChI=1S/C7H6BrF2N/c1-7(9,10)5-2-3-11-6(8)4-5/h2-4H,1H3
InChIKey
QJQIOIGWMUPNLB-UHFFFAOYSA-N
Compound name
2-bromo-4-(1,1-difluoroethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

220.96516 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.97244 143.4
[M+Na]+ 243.95438 146.1
[M+NH4]+ 238.99898 147.3
[M+K]+ 259.92832 145.8
[M-H]- 219.95788 141.1
[M+Na-2H]- 241.93983 146.4
[M]+ 220.96461 141.9
[M]- 220.96571 141.9
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