CID 5062393

189281-98-9

Structural Information

Molecular Formula
C14H20F2N2S2
SMILES
CC(C(C)(C)C)NC(=S)NC1=CC=C(C=C1)SC(F)F
InChI
InChI=1S/C14H20F2N2S2/c1-9(14(2,3)4)17-13(19)18-10-5-7-11(8-6-10)20-12(15)16/h5-9,12H,1-4H3,(H2,17,18,19)
InChIKey
RDIJRRGZZARMTJ-UHFFFAOYSA-N
Compound name
1-[4-(difluoromethylsulfanyl)phenyl]-3-(3,3-dimethylbutan-2-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

318.1036 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.11088 168.2
[M+Na]+ 341.09282 172.3
[M-H]- 317.09632 167.8
[M+NH4]+ 336.13742 182.5
[M+K]+ 357.06676 166.8
[M+H-H2O]+ 301.10086 159.3
[M+HCOO]- 363.10180 175.0
[M+CH3COO]- 377.11745 210.7
[M+Na-2H]- 339.07827 165.7
[M]+ 318.10305 166.1
[M]- 318.10415 166.1
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