CID 620683

4-(4-bromophenyl)-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C9H7BrN2S
SMILES
C1=CC(=CC=C1C2=CSC(=N2)N)Br
InChI
InChI=1S/C9H7BrN2S/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-5H,(H2,11,12)
InChIKey
ZBRNKOLWXWMLTA-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

223
Patents

253.95132 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.958596 138.4
[M+Na]+ 276.940538 152.3
[M-H]- 252.944044 147.2
[M+NH4]+ 271.985143 160.3
[M+K]+ 292.914478 139.7
[M+H-H2O]+ 236.948580 138.3
[M+HCOO]- 298.949521 157.3
[M+CH3COO]- 312.965171 154.4
[M+Na-2H]- 274.925986 143.4
[M]+ 253.95077142 157.4
[M]- 253.95186858 157.4
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