CID 104717

54288-96-9

Structural Information

Molecular Formula
C17H13Br2NO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C3=CC=CC=C3C=C2Br)Br
InChI
InChI=1S/C17H13Br2NO2S/c1-11-6-8-13(9-7-11)23(21,22)20-17-15(18)10-12-4-2-3-5-14(12)16(17)19/h2-10,20H,1H3
InChIKey
UVAKNVUPXFGEIM-UHFFFAOYSA-N
Compound name
N-(1,3-dibromonaphthalen-2-yl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.90338 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.91066 164.1
[M+Na]+ 475.89260 175.1
[M-H]- 451.89610 173.9
[M+NH4]+ 470.93720 179.4
[M+K]+ 491.86654 158.6
[M+H-H2O]+ 435.90064 171.5
[M+HCOO]- 497.90158 175.6
[M+CH3COO]- 511.91723 225.1
[M+Na-2H]- 473.87805 171.0
[M]+ 452.90283 200.1
[M]- 452.90393 200.1
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

No patent data available for this compound.