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 143.6
[M+Na]+ 259.01234 151.6
[M-H]- 235.01584 141.9
[M+NH4]+ 254.05694 160.4
[M+K]+ 274.98628 146.8
[M+H-H2O]+ 219.02038 135.3
[M+HCOO]- 281.02132 157.5
[M+CH3COO]- 295.03697 190.3
[M+Na-2H]- 256.99779 144.9
[M]+ 236.02257 137.5
[M]- 236.02367 137.5
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