CID 131700019

2-bromo-3-(1,1-difluoroethyl)pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 137.4
[M+Na]+ 243.95438 150.3
[M-H]- 219.95788 140.4
[M+NH4]+ 238.99898 158.4
[M+K]+ 259.92832 139.2
[M+H-H2O]+ 203.96242 136.3
[M+HCOO]- 265.96336 155.4
[M+CH3COO]- 279.97901 185.3
[M+Na-2H]- 241.93983 146.2
[M]+ 220.96461 153.4
[M]- 220.96571 153.4
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