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]+ 254.95860 138.4
[M+Na]+ 276.94054 152.3
[M-H]- 252.94404 147.2
[M+NH4]+ 271.98514 160.3
[M+K]+ 292.91448 139.7
[M+H-H2O]+ 236.94858 138.3
[M+HCOO]- 298.94952 157.3
[M+CH3COO]- 312.96517 154.4
[M+Na-2H]- 274.92599 143.4
[M]+ 253.95077 157.4
[M]- 253.95187 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