CID 137941828

6-bromo-4-chloro-3-(difluoromethyl)quinoline

Structural Information

Molecular Formula
C10H5BrClF2N
SMILES
C1=CC2=NC=C(C(=C2C=C1Br)Cl)C(F)F
InChI
InChI=1S/C10H5BrClF2N/c11-5-1-2-8-6(3-5)9(12)7(4-15-8)10(13)14/h1-4,10H
InChIKey
SYCGOPZLCQKWGM-UHFFFAOYSA-N
Compound name
6-bromo-4-chloro-3-(difluoromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

290.9262 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.93348 149.7
[M+Na]+ 313.91542 164.5
[M-H]- 289.91892 153.6
[M+NH4]+ 308.96002 170.1
[M+K]+ 329.88936 150.7
[M+H-H2O]+ 273.92346 148.7
[M+HCOO]- 335.92440 162.8
[M+CH3COO]- 349.94005 164.2
[M+Na-2H]- 311.90087 156.6
[M]+ 290.92565 168.3
[M]- 290.92675 168.3
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