CID 86810799

3-bromo-5-(3,3-difluoropyrrolidin-1-yl)pyridine

Structural Information

Molecular Formula
C9H9BrF2N2
SMILES
C1CN(CC1(F)F)C2=CC(=CN=C2)Br
InChI
InChI=1S/C9H9BrF2N2/c10-7-3-8(5-13-4-7)14-2-1-9(11,12)6-14/h3-5H,1-2,6H2
InChIKey
JYBBZQNTANRQPK-UHFFFAOYSA-N
Compound name
3-bromo-5-(3,3-difluoropyrrolidin-1-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

261.99173 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.99901 147.3
[M+Na]+ 284.98095 160.1
[M-H]- 260.98445 152.0
[M+NH4]+ 280.02555 168.9
[M+K]+ 300.95489 148.8
[M+H-H2O]+ 244.98899 145.4
[M+HCOO]- 306.98993 164.7
[M+CH3COO]- 321.00558 161.6
[M+Na-2H]- 282.96640 152.9
[M]+ 261.99118 161.7
[M]- 261.99228 161.7
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