CID 40425118

884494-37-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

148
Patents

188.95894 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.96622 126.8
[M+Na]+ 211.94816 140.6
[M-H]- 187.95166 131.4
[M+NH4]+ 206.99276 149.4
[M+K]+ 227.92210 129.9
[M+H-H2O]+ 171.95620 126.6
[M+HCOO]- 233.95714 147.7
[M+CH3COO]- 247.97279 180.7
[M+Na-2H]- 209.93361 135.9
[M]+ 188.95839 144.5
[M]- 188.95949 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