CID 16228106

5-[(3-bromophenyl)methyl]-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C10H9BrN2S
SMILES
C1=CC(=CC(=C1)Br)CC2=CN=C(S2)N
InChI
InChI=1S/C10H9BrN2S/c11-8-3-1-2-7(4-8)5-9-6-13-10(12)14-9/h1-4,6H,5H2,(H2,12,13)
InChIKey
QGPGPGCUYYOGGE-UHFFFAOYSA-N
Compound name
5-[(3-bromophenyl)methyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.96698 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.97426 142.8
[M+Na]+ 290.95620 156.3
[M-H]- 266.95970 151.4
[M+NH4]+ 286.00080 164.1
[M+K]+ 306.93014 143.4
[M+H-H2O]+ 250.96424 142.5
[M+HCOO]- 312.96518 161.4
[M+CH3COO]- 326.98083 158.4
[M+Na-2H]- 288.94165 147.3
[M]+ 267.96643 162.1
[M]- 267.96753 162.1
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

No patent data available for this compound.