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

6
Patents

256.96518 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.97246 145.3
[M+Na]+ 279.95440 160.3
[M-H]- 255.95790 149.7
[M+NH4]+ 274.99900 166.5
[M+K]+ 295.92834 148.0
[M+H-H2O]+ 239.96244 143.8
[M+HCOO]- 301.96338 163.7
[M+CH3COO]- 315.97903 194.1
[M+Na-2H]- 277.93985 152.9
[M]+ 256.96463 162.8
[M]- 256.96573 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