CID 29927785

154057-56-4

Structural Information

Molecular Formula
C19H15BrFN
SMILES
C1CC1C2=NC3=CC=CC=C3C(=C2CBr)C4=CC=C(C=C4)F
InChI
InChI=1S/C19H15BrFN/c20-11-16-18(12-7-9-14(21)10-8-12)15-3-1-2-4-17(15)22-19(16)13-5-6-13/h1-4,7-10,13H,5-6,11H2
InChIKey
QCNHMJKMLPPGMF-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-2-cyclopropyl-4-(4-fluorophenyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

355.0372 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.04448 176.9
[M+Na]+ 378.02642 190.5
[M-H]- 354.02992 187.5
[M+NH4]+ 373.07102 189.2
[M+K]+ 394.00036 176.8
[M+H-H2O]+ 338.03446 173.8
[M+HCOO]- 400.03540 195.3
[M+CH3COO]- 414.05105 189.5
[M+Na-2H]- 376.01187 182.4
[M]+ 355.03665 195.8
[M]- 355.03775 195.8
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