CID 17774635

4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C10H6F4N2S
SMILES
C1=C(C=C(C=C1C(F)(F)F)F)C2=CSC(=N2)N
InChI
InChI=1S/C10H6F4N2S/c11-7-2-5(8-4-17-9(15)16-8)1-6(3-7)10(12,13)14/h1-4H,(H2,15,16)
InChIKey
UKJQCMKGJGFQFQ-UHFFFAOYSA-N
Compound name
4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

262.01877 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.02605 148.3
[M+Na]+ 285.00799 159.7
[M-H]- 261.01149 149.3
[M+NH4]+ 280.05259 166.1
[M+K]+ 300.98193 154.1
[M+H-H2O]+ 245.01603 138.5
[M+HCOO]- 307.01697 163.0
[M+CH3COO]- 321.03262 194.6
[M+Na-2H]- 282.99344 148.7
[M]+ 262.01822 144.2
[M]- 262.01932 144.3
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