CID 2736182

38901-31-4

Structural Information

Molecular Formula
C9H7F6N3S
SMILES
C1=C(C=C(C=C1C(F)(F)F)NC(=S)NN)C(F)(F)F
InChI
InChI=1S/C9H7F6N3S/c10-8(11,12)4-1-5(9(13,14)15)3-6(2-4)17-7(19)18-16/h1-3H,16H2,(H2,17,18,19)
InChIKey
NCYLHRNUKHCMDE-UHFFFAOYSA-N
Compound name
1-amino-3-[3,5-bis(trifluoromethyl)phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

303.0265 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.03378 166.0
[M+Na]+ 326.01572 168.4
[M+NH4]+ 321.06032 167.7
[M+K]+ 341.98966 164.6
[M-H]- 302.01922 160.1
[M+Na-2H]- 324.00117 166.2
[M]+ 303.02595 164.4
[M]- 303.02705 164.4
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