CID 57336645

2-bromo-6-fluoro-3-methylpyridine

Structural Information

Molecular Formula
C6H5BrFN
SMILES
CC1=C(N=C(C=C1)F)Br
InChI
InChI=1S/C6H5BrFN/c1-4-2-3-5(8)9-6(4)7/h2-3H,1H3
InChIKey
QVTPYAAQRJLAMZ-UHFFFAOYSA-N
Compound name
2-bromo-6-fluoro-3-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

188.95894 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.966216 126.8
[M+Na]+ 211.948158 140.6
[M-H]- 187.951664 131.4
[M+NH4]+ 206.992763 149.4
[M+K]+ 227.922098 129.9
[M+H-H2O]+ 171.956200 126.6
[M+HCOO]- 233.957141 147.7
[M+CH3COO]- 247.972791 180.7
[M+Na-2H]- 209.933606 135.9
[M]+ 188.95839142 144.5
[M]- 188.95948858 144.5
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