CID 723330

105512-81-0

Structural Information

Molecular Formula
C9H7BrN2S
SMILES
C1=CC(=CC(=C1)Br)C2=CSC(=N2)N
InChI
InChI=1S/C9H7BrN2S/c10-7-3-1-2-6(4-7)8-5-13-9(11)12-8/h1-5H,(H2,11,12)
InChIKey
PDNKBFMOKUBDDR-UHFFFAOYSA-N
Compound name
4-(3-bromophenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

135
Patents

253.95132 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.95860 138.6
[M+Na]+ 276.94054 142.4
[M+NH4]+ 271.98514 144.7
[M+K]+ 292.91448 141.9
[M-H]- 252.94404 141.5
[M+Na-2H]- 274.92599 143.9
[M]+ 253.95077 139.2
[M]- 253.95187 139.2
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