CID 90457561

Methyl 5-bromo-3-(difluoromethyl)picolinate

Structural Information

Molecular Formula
C8H6BrF2NO2
SMILES
COC(=O)C1=C(C=C(C=N1)Br)C(F)F
InChI
InChI=1S/C8H6BrF2NO2/c1-14-8(13)6-5(7(10)11)2-4(9)3-12-6/h2-3,7H,1H3
InChIKey
GIAFCEMTVFTRKA-UHFFFAOYSA-N
Compound name
methyl 5-bromo-3-(difluoromethyl)pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

264.955 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.96228 150.5
[M+Na]+ 287.94422 152.3
[M+NH4]+ 282.98882 153.1
[M+K]+ 303.91816 153.2
[M-H]- 263.94772 147.3
[M+Na-2H]- 285.92967 151.8
[M]+ 264.95445 148.4
[M]- 264.95555 148.4
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