CID 97291496

6-bromo-4-(difluoromethoxy)quinoline

Structural Information

Molecular Formula
C10H6BrF2NO
SMILES
C1=CC2=NC=CC(=C2C=C1Br)OC(F)F
InChI
InChI=1S/C10H6BrF2NO/c11-6-1-2-8-7(5-6)9(3-4-14-8)15-10(12)13/h1-5,10H
InChIKey
VNCDLPRFVBATOQ-UHFFFAOYSA-N
Compound name
6-bromo-4-(difluoromethoxy)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.96008 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.967356 149.3
[M+Na]+ 295.949298 162.1
[M-H]- 271.952804 153.0
[M+NH4]+ 290.993903 169.1
[M+K]+ 311.923238 150.6
[M+H-H2O]+ 255.957340 147.3
[M+HCOO]- 317.958281 166.9
[M+CH3COO]- 331.973931 194.6
[M+Na-2H]- 293.934746 157.0
[M]+ 272.95953142 166.8
[M]- 272.96062858 166.8
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.