CID 21781066

Ce3f4

Structural Information

Molecular Formula

C₁₁H₁₀Br₂FNO

SMILES

CC1CCC2=C(C(=C(C=C2N1C=O)Br)F)Br

InChI

InChI=1S/C11H10Br2FNO/c1-6-2-3-7-9(15(6)5-16)4-8(12)11(14)10(7)13/h4-6H,2-3H2,1H3

InChIKey

ZZLQPWXVZCPUGC-UHFFFAOYSA-N

Compound name

5,7-dibromo-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 25
Patents: 348.91132 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	349.91860	159.5
[M+Na]+	371.90054	154.8
[M+NH4]+	366.94514	161.2
[M+K]+	387.87448	160.4
[M-H]-	347.90404	159.5
[M+Na-2H]-	369.88599	159.5
[M]+	348.91077	157.7
[M]-	348.91187	157.7

Literature stripe

literature stripe

Patent stripe

patents stripe