CID 2783292

(3,4,5-trifluorophenyl)thiourea

Structural Information

Molecular Formula
C7H5F3N2S
SMILES
C1=C(C=C(C(=C1F)F)F)NC(=S)N
InChI
InChI=1S/C7H5F3N2S/c8-4-1-3(12-7(11)13)2-5(9)6(4)10/h1-2H,(H3,11,12,13)
InChIKey
PNGMYMPMZIKWEP-UHFFFAOYSA-N
Compound name
(3,4,5-trifluorophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.01256 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.01984 134.7
[M+Na]+ 229.00178 144.1
[M-H]- 205.00528 134.7
[M+NH4]+ 224.04638 153.7
[M+K]+ 244.97572 139.5
[M+H-H2O]+ 189.00982 126.2
[M+HCOO]- 251.01076 151.6
[M+CH3COO]- 265.02641 189.2
[M+Na-2H]- 226.98723 135.3
[M]+ 206.01201 129.7
[M]- 206.01311 129.7
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.