CID 1105883

1-[(4-bromophenyl)sulfonyl]-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C15H14BrNO2S
SMILES
C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C15H14BrNO2S/c16-13-7-9-14(10-8-13)20(18,19)17-11-3-5-12-4-1-2-6-15(12)17/h1-2,4,6-10H,3,5,11H2
InChIKey
NNXXNQBMJZSBPH-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

1
Patents

350.99286 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.00014 162.9
[M+Na]+ 373.98208 174.3
[M-H]- 349.98558 171.5
[M+NH4]+ 369.02668 180.1
[M+K]+ 389.95602 161.9
[M+H-H2O]+ 333.99012 162.7
[M+HCOO]- 395.99106 175.2
[M+CH3COO]- 410.00671 176.2
[M+Na-2H]- 371.96753 170.1
[M]+ 350.99231 181.7
[M]- 350.99341 181.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe