CID 2777352

1-(4-(trifluoromethoxy)phenyl)-2-thiourea

Structural Information

Molecular Formula
C8H7F3N2OS
SMILES
C1=CC(=CC=C1NC(=S)N)OC(F)(F)F
InChI
InChI=1S/C8H7F3N2OS/c9-8(10,11)14-6-3-1-5(2-4-6)13-7(12)15/h1-4H,(H3,12,13,15)
InChIKey
UCOXNOVULREFCO-UHFFFAOYSA-N
Compound name
[4-(trifluoromethoxy)phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

236.02312 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.03040 143.7
[M+Na]+ 259.01234 151.2
[M-H]- 235.01584 143.0
[M+NH4]+ 254.05694 161.0
[M+K]+ 274.98628 147.3
[M+H-H2O]+ 219.02038 134.9
[M+HCOO]- 281.02132 159.1
[M+CH3COO]- 295.03697 191.6
[M+Na-2H]- 256.99779 146.0
[M]+ 236.02257 139.1
[M]- 236.02367 139.1
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