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]+ 273.96736 149.3
[M+Na]+ 295.94930 162.1
[M-H]- 271.95280 153.0
[M+NH4]+ 290.99390 169.1
[M+K]+ 311.92324 150.6
[M+H-H2O]+ 255.95734 147.3
[M+HCOO]- 317.95828 166.9
[M+CH3COO]- 331.97393 194.6
[M+Na-2H]- 293.93475 157.0
[M]+ 272.95953 166.8
[M]- 272.96063 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.