CID 737227

Thiourea, [2-(trifluoromethyl)phenyl]-

Structural Information

Molecular Formula
C8H7F3N2S
SMILES
C1=CC=C(C(=C1)C(F)(F)F)NC(=S)N
InChI
InChI=1S/C8H7F3N2S/c9-8(10,11)5-3-1-2-4-6(5)13-7(12)14/h1-4H,(H3,12,13,14)
InChIKey
FVXFFFHGYOYYQX-UHFFFAOYSA-N
Compound name
[2-(trifluoromethyl)phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

115
Patents

220.0282 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.03548 140.3
[M+Na]+ 243.01742 148.0
[M-H]- 219.02092 139.7
[M+NH4]+ 238.06202 158.3
[M+K]+ 258.99136 143.6
[M+H-H2O]+ 203.02546 131.7
[M+HCOO]- 265.02640 155.5
[M+CH3COO]- 279.04205 189.5
[M+Na-2H]- 241.00287 142.5
[M]+ 220.02765 134.3
[M]- 220.02875 134.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe