CID 2725769

284665-40-3

Structural Information

Molecular Formula
C11H6F6N2S
SMILES
C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C2=CSC(=N2)N
InChI
InChI=1S/C11H6F6N2S/c12-10(13,14)6-1-5(8-4-20-9(18)19-8)2-7(3-6)11(15,16)17/h1-4H,(H2,18,19)
InChIKey
YXPRLOAPZGLDGA-UHFFFAOYSA-N
Compound name
4-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

312.0156 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.02288 158.6
[M+Na]+ 335.00482 169.9
[M-H]- 311.00832 157.1
[M+NH4]+ 330.04942 174.2
[M+K]+ 350.97876 163.8
[M+H-H2O]+ 295.01286 147.3
[M+HCOO]- 357.01380 169.3
[M+CH3COO]- 371.02945 203.1
[M+Na-2H]- 332.99027 158.4
[M]+ 312.01505 151.8
[M]- 312.01615 151.8
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