CID 5465676

101564-41-4

Structural Information

Molecular Formula
C10H13Cl2F4N3OS
SMILES
C1CC/C(=N\NC(=S)N)/C(C1)C(C(F)(F)Cl)(C(F)(F)Cl)O
InChI
InChI=1S/C10H13Cl2F4N3OS/c11-9(13,14)8(20,10(12,15)16)5-3-1-2-4-6(5)18-19-7(17)21/h5,20H,1-4H2,(H3,17,19,21)/b18-6+
InChIKey
AWCNYHYGKNOLOT-NGYBGAFCSA-N
Compound name
[(E)-[2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)cyclohexylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.00925 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.01653 169.1
[M+Na]+ 391.99847 170.8
[M+NH4]+ 387.04307 171.8
[M+K]+ 407.97241 167.5
[M-H]- 368.00197 163.3
[M+Na-2H]- 389.98392 168.9
[M]+ 369.00870 167.8
[M]- 369.00980 167.8
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

No patent data available for this compound.