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

11
Patents

256.90546 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.912736 137.3
[M+Na]+ 279.894678 151.6
[M-H]- 255.898184 140.4
[M+NH4]+ 274.939283 157.9
[M+K]+ 295.868618 139.3
[M+H-H2O]+ 239.902720 136.5
[M+HCOO]- 301.903661 152.1
[M+CH3COO]- 315.919311 189.4
[M+Na-2H]- 277.880126 144.2
[M]+ 256.90491142 156.4
[M]- 256.90600858 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