CID 130095050

5-bromo-2-(difluoromethyl)-3-methylpyridine

Structural Information

Molecular Formula
C7H6BrF2N
SMILES
CC1=CC(=CN=C1C(F)F)Br
InChI
InChI=1S/C7H6BrF2N/c1-4-2-5(8)3-11-6(4)7(9)10/h2-3,7H,1H3
InChIKey
SAYQIHJISYNBEB-UHFFFAOYSA-N
Compound name
5-bromo-2-(difluoromethyl)-3-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

220.96516 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.972436 136.0
[M+Na]+ 243.954378 149.0
[M-H]- 219.957884 139.1
[M+NH4]+ 238.998983 157.1
[M+K]+ 259.928318 138.0
[M+H-H2O]+ 203.962420 134.5
[M+HCOO]- 265.963361 154.5
[M+CH3COO]- 279.979011 186.8
[M+Na-2H]- 241.939826 142.5
[M]+ 220.96461142 152.2
[M]- 220.96570858 152.2
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