CID 155190515

2-bromo-6-((4-chloro-2-fluorophenyl)methoxy)pyridine

Structural Information

Molecular Formula
C12H8BrClFNO
SMILES
C1=CC(=NC(=C1)Br)OCC2=C(C=C(C=C2)Cl)F
InChI
InChI=1S/C12H8BrClFNO/c13-11-2-1-3-12(16-11)17-7-8-4-5-9(14)6-10(8)15/h1-6H,7H2
InChIKey
JCOBZUDDQNLDTA-UHFFFAOYSA-N
Compound name
2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

314.94617 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.95345 156.0
[M+Na]+ 337.93539 170.0
[M-H]- 313.93889 163.0
[M+NH4]+ 332.97999 174.3
[M+K]+ 353.90933 156.4
[M+H-H2O]+ 297.94343 154.7
[M+HCOO]- 359.94437 172.1
[M+CH3COO]- 373.96002 199.8
[M+Na-2H]- 335.92084 163.0
[M]+ 314.94562 177.0
[M]- 314.94672 177.0
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