CID 2736693

21714-35-2

Structural Information

Molecular Formula
C8H6ClF3N2S
SMILES
C1=CC(=C(C=C1C(F)(F)F)NC(=S)N)Cl
InChI
InChI=1S/C8H6ClF3N2S/c9-5-2-1-4(8(10,11)12)3-6(5)14-7(13)15/h1-3H,(H3,13,14,15)
InChIKey
GCEQZLQDKSFFEF-UHFFFAOYSA-N
Compound name
[2-chloro-5-(trifluoromethyl)phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.98923 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.99651 147.5
[M+Na]+ 276.97845 155.3
[M+NH4]+ 272.02305 153.5
[M+K]+ 292.95239 149.0
[M-H]- 252.98195 145.5
[M+Na-2H]- 274.96390 151.2
[M]+ 253.98868 148.3
[M]- 253.98978 148.3
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

No patent data available for this compound.