CID 165459246

2-bromo-3-(1,1-difluoro-2-methylpropyl)pyridine

Structural Information

Molecular Formula
C9H10BrF2N
SMILES
CC(C)C(C1=C(N=CC=C1)Br)(F)F
InChI
InChI=1S/C9H10BrF2N/c1-6(2)9(11,12)7-4-3-5-13-8(7)10/h3-6H,1-2H3
InChIKey
YKBADOXOHAJPMU-UHFFFAOYSA-N
Compound name
2-bromo-3-(1,1-difluoro-2-methylpropyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.99648 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.00376 146.8
[M+Na]+ 271.98570 158.7
[M-H]- 247.98920 149.6
[M+NH4]+ 267.03030 166.7
[M+K]+ 287.95964 147.5
[M+H-H2O]+ 231.99374 145.4
[M+HCOO]- 293.99468 163.2
[M+CH3COO]- 308.01033 191.7
[M+Na-2H]- 269.97115 153.4
[M]+ 248.99593 162.9
[M]- 248.99703 162.9
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

No patent data available for this compound.