CID 706457

172848-41-8

Structural Information

Molecular Formula
C10H7F3N2S
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=CSC(=N2)N
InChI
InChI=1S/C10H7F3N2S/c11-10(12,13)7-3-1-2-6(4-7)8-5-16-9(14)15-8/h1-5H,(H2,14,15)
InChIKey
ZZDBATBJNFVJCB-UHFFFAOYSA-N
Compound name
4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

183
Patents

244.0282 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.03548 146.0
[M+Na]+ 267.01742 156.6
[M-H]- 243.02092 148.1
[M+NH4]+ 262.06202 164.4
[M+K]+ 282.99136 151.4
[M+H-H2O]+ 227.02546 137.0
[M+HCOO]- 289.02640 161.9
[M+CH3COO]- 303.04205 190.6
[M+Na-2H]- 265.00287 147.6
[M]+ 244.02765 142.7
[M]- 244.02875 142.7
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