CID 59481599

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

Structural Information

Molecular Formula
C9H7BrN2S
SMILES
C1=CC(=CC=C1C2=NC(=CS2)N)Br
InChI
InChI=1S/C9H7BrN2S/c10-7-3-1-6(2-4-7)9-12-8(11)5-13-9/h1-5H,11H2
InChIKey
CUEXOWOQJNGWHV-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-1,3-thiazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

253.95132 Da
Monoisotopic Mass

3.0
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

No literature data available for this compound.

Patent stripe

patents stripe