CID 130095052

3-bromo-6-(difluoromethyl)-2-methylpyridine

Structural Information

Molecular Formula
C7H6BrF2N
SMILES
CC1=C(C=CC(=N1)C(F)F)Br
InChI
InChI=1S/C7H6BrF2N/c1-4-5(8)2-3-6(11-4)7(9)10/h2-3,7H,1H3
InChIKey
GXPQQRCJPULTCP-UHFFFAOYSA-N
Compound name
3-bromo-6-(difluoromethyl)-2-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

220.96516 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.97244 136.0
[M+Na]+ 243.95438 149.0
[M-H]- 219.95788 139.1
[M+NH4]+ 238.99898 157.1
[M+K]+ 259.92832 138.0
[M+H-H2O]+ 203.96242 134.5
[M+HCOO]- 265.96336 154.5
[M+CH3COO]- 279.97901 186.8
[M+Na-2H]- 241.93983 142.5
[M]+ 220.96461 152.2
[M]- 220.96571 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