CID 2771064

67086-81-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

7
References

33
Patents

242.97173 Da
Monoisotopic Mass

2.2
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

patents stripe