CID 14740057

3-bromo-2-chloro-5-(difluoromethoxy)pyridine

Structural Information

Molecular Formula
C6H3BrClF2NO
SMILES
C1=C(C=NC(=C1Br)Cl)OC(F)F
InChI
InChI=1S/C6H3BrClF2NO/c7-4-1-3(12-6(9)10)2-11-5(4)8/h1-2,6H
InChIKey
UZNVLQXBSPDMFN-UHFFFAOYSA-N
Compound name
3-bromo-2-chloro-5-(difluoromethoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

256.90546 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.91274 137.3
[M+Na]+ 279.89468 151.6
[M-H]- 255.89818 140.4
[M+NH4]+ 274.93928 157.9
[M+K]+ 295.86862 139.3
[M+H-H2O]+ 239.90272 136.5
[M+HCOO]- 301.90366 152.1
[M+CH3COO]- 315.91931 189.4
[M+Na-2H]- 277.88013 144.2
[M]+ 256.90491 156.4
[M]- 256.90601 156.4
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