CID 53418882

7-bromo-2,2,4-trimethyl-1,2-dihydroquinoline

Structural Information

Molecular Formula
C12H14BrN
SMILES
CC1=CC(NC2=C1C=CC(=C2)Br)(C)C
InChI
InChI=1S/C12H14BrN/c1-8-7-12(2,3)14-11-6-9(13)4-5-10(8)11/h4-7,14H,1-3H3
InChIKey
AYTQOWZVJHKYQY-UHFFFAOYSA-N
Compound name
7-bromo-2,2,4-trimethyl-1H-quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

251.03096 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.03824 147.6
[M+Na]+ 274.02018 160.4
[M-H]- 250.02368 152.8
[M+NH4]+ 269.06478 170.2
[M+K]+ 289.99412 148.0
[M+H-H2O]+ 234.02822 148.4
[M+HCOO]- 296.02916 164.7
[M+CH3COO]- 310.04481 162.2
[M+Na-2H]- 272.00563 155.9
[M]+ 251.03041 165.0
[M]- 251.03151 165.0
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