CID 165766533

5-(2-bromo-1,1,2-trifluoroethoxy)-2-chloropyridine

Structural Information

Molecular Formula
C7H4BrClF3NO
SMILES
C1=CC(=NC=C1OC(C(F)Br)(F)F)Cl
InChI
InChI=1S/C7H4BrClF3NO/c8-6(10)7(11,12)14-4-1-2-5(9)13-3-4/h1-3,6H
InChIKey
YHKBZCYWBSNWRY-UHFFFAOYSA-N
Compound name
5-(2-bromo-1,1,2-trifluoroethoxy)-2-chloropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.91168 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.91896 147.3
[M+Na]+ 311.90090 160.7
[M-H]- 287.90440 148.9
[M+NH4]+ 306.94550 166.3
[M+K]+ 327.87484 148.0
[M+H-H2O]+ 271.90894 145.5
[M+HCOO]- 333.90988 159.1
[M+CH3COO]- 347.92553 194.1
[M+Na-2H]- 309.88635 154.0
[M]+ 288.91113 164.7
[M]- 288.91223 164.7
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

No patent data available for this compound.