CID 128756

Thiazolidine, 2-(3-bromophenyl)-

Structural Information

Molecular Formula
C9H10BrNS
SMILES
C1CSC(N1)C2=CC(=CC=C2)Br
InChI
InChI=1S/C9H10BrNS/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-3,6,9,11H,4-5H2
InChIKey
HCHIGNRMHLIEIN-UHFFFAOYSA-N
Compound name
2-(3-bromophenyl)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

242.97173 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.97901 139.2
[M+Na]+ 265.96095 150.9
[M-H]- 241.96445 146.3
[M+NH4]+ 261.00555 161.1
[M+K]+ 281.93489 138.8
[M+H-H2O]+ 225.96899 140.0
[M+HCOO]- 287.96993 153.9
[M+CH3COO]- 301.98558 154.0
[M+Na-2H]- 263.94640 143.0
[M]+ 242.97118 155.2
[M]- 242.97228 155.2
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.