CID 157293

79128-47-5

Structural Information

Molecular Formula
C10H12BrNS
SMILES
C1CNC(SC1)C2=CC(=CC=C2)Br
InChI
InChI=1S/C10H12BrNS/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1,3-4,7,10,12H,2,5-6H2
InChIKey
OUIOUCHEXSCWJQ-UHFFFAOYSA-N
Compound name
2-(3-bromophenyl)-1,3-thiazinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.98737 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.994646 140.2
[M+Na]+ 279.976588 150.0
[M-H]- 255.980094 146.5
[M+NH4]+ 275.021193 159.5
[M+K]+ 295.950528 137.4
[M+H-H2O]+ 239.984630 140.5
[M+HCOO]- 301.985571 152.3
[M+CH3COO]- 316.001221 153.8
[M+Na-2H]- 277.962036 145.2
[M]+ 256.98682142 154.3
[M]- 256.98791858 154.3
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.