CID 826532

Vufb 17700

Structural Information

Molecular Formula
C15H16BrNS
SMILES
CN(C)CC1=CC=CC=C1SC2=CC=CC=C2Br
InChI
InChI=1S/C15H16BrNS/c1-17(2)11-12-7-3-5-9-14(12)18-15-10-6-4-8-13(15)16/h3-10H,11H2,1-2H3
InChIKey
IPHZDYNMAHVCMZ-UHFFFAOYSA-N
Compound name
1-[2-(2-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

321.01868 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.02596 157.5
[M+Na]+ 344.00790 168.4
[M-H]- 320.01140 168.0
[M+NH4]+ 339.05250 176.8
[M+K]+ 359.98184 156.0
[M+H-H2O]+ 304.01594 156.2
[M+HCOO]- 366.01688 175.6
[M+CH3COO]- 380.03253 207.9
[M+Na-2H]- 341.99335 162.1
[M]+ 321.01813 179.0
[M]- 321.01923 179.0
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

No patent data available for this compound.