CID 45599419

4-bromo-6,8-difluoro-2-methylquinoline

Structural Information

Molecular Formula
C10H6BrF2N
SMILES
CC1=CC(=C2C=C(C=C(C2=N1)F)F)Br
InChI
InChI=1S/C10H6BrF2N/c1-5-2-8(11)7-3-6(12)4-9(13)10(7)14-5/h2-4H,1H3
InChIKey
BMDJTKNFPQFHEW-UHFFFAOYSA-N
Compound name
4-bromo-6,8-difluoro-2-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

256.96518 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.972456 145.3
[M+Na]+ 279.954398 160.3
[M-H]- 255.957904 149.7
[M+NH4]+ 274.999003 166.5
[M+K]+ 295.928338 148.0
[M+H-H2O]+ 239.962440 143.8
[M+HCOO]- 301.963381 163.7
[M+CH3COO]- 315.979031 194.1
[M+Na-2H]- 277.939846 152.9
[M]+ 256.96463142 162.8
[M]- 256.96572858 162.8
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

patents stripe