CID 3038230

2-hydroxy-5-trifluoromethylphenyl thiourea

Structural Information

Molecular Formula
C8H7F3N2OS
SMILES
C1=CC(=C(C=C1C(F)(F)F)NC(=S)N)O
InChI
InChI=1S/C8H7F3N2OS/c9-8(10,11)4-1-2-6(14)5(3-4)13-7(12)15/h1-3,14H,(H3,12,13,15)
InChIKey
KDIAXLMZUONVBM-UHFFFAOYSA-N
Compound name
[2-hydroxy-5-(trifluoromethyl)phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

236.02312 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.03040 147.4
[M+Na]+ 259.01234 153.6
[M+NH4]+ 254.05694 152.3
[M+K]+ 274.98628 148.7
[M-H]- 235.01584 144.3
[M+Na-2H]- 256.99779 149.9
[M]+ 236.02257 147.3
[M]- 236.02367 147.3
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

patents stripe