CID 103997006

6-bromo-7-fluoro-3-methylquinolin-2-amine

Structural Information

Molecular Formula
C10H8BrFN2
SMILES
CC1=CC2=CC(=C(C=C2N=C1N)F)Br
InChI
InChI=1S/C10H8BrFN2/c1-5-2-6-3-7(11)8(12)4-9(6)14-10(5)13/h2-4H,1H3,(H2,13,14)
InChIKey
WTHQAORMGGLPBS-UHFFFAOYSA-N
Compound name
6-bromo-7-fluoro-3-methylquinolin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

253.98549 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.99277 146.3
[M+Na]+ 276.97471 160.3
[M-H]- 252.97821 151.4
[M+NH4]+ 272.01931 167.0
[M+K]+ 292.94865 147.6
[M+H-H2O]+ 236.98275 144.9
[M+HCOO]- 298.98369 166.0
[M+CH3COO]- 312.99934 195.5
[M+Na-2H]- 274.96016 153.8
[M]+ 253.98494 163.3
[M]- 253.98604 163.3
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