CID 68669965

3-bromo-5-(1,1-difluoroethyl)pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

220.96516 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.972436 137.4
[M+Na]+ 243.954378 150.3
[M-H]- 219.957884 140.4
[M+NH4]+ 238.998983 158.4
[M+K]+ 259.928318 139.2
[M+H-H2O]+ 203.962420 136.3
[M+HCOO]- 265.963361 155.4
[M+CH3COO]- 279.979011 185.3
[M+Na-2H]- 241.939826 146.2
[M]+ 220.96461142 153.4
[M]- 220.96570858 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