CID 121365449

1936429-88-7

Structural Information

Molecular Formula
C14H17BrFNO2
SMILES
CC(C)(C)OC(=O)N1CCCC2=CC(=C(C=C21)F)Br
InChI
InChI=1S/C14H17BrFNO2/c1-14(2,3)19-13(18)17-6-4-5-9-7-10(15)11(16)8-12(9)17/h7-8H,4-6H2,1-3H3
InChIKey
VHVXBKHQCWZFMQ-UHFFFAOYSA-N
Compound name
tert-butyl 6-bromo-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

329.04266 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.04994 170.0
[M+Na]+ 352.03188 180.7
[M-H]- 328.03538 174.3
[M+NH4]+ 347.07648 188.0
[M+K]+ 368.00582 169.6
[M+H-H2O]+ 312.03992 168.8
[M+HCOO]- 374.04086 183.4
[M+CH3COO]- 388.05651 204.7
[M+Na-2H]- 350.01733 174.4
[M]+ 329.04211 187.5
[M]- 329.04321 187.5
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