CID 5277345

[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]thiourea

Structural Information

Molecular Formula
C15H13F3N2OS
SMILES
C1=CC(=CC(=C1)C(F)(F)F)COC2=CC=CC(=C2)NC(=S)N
InChI
InChI=1S/C15H13F3N2OS/c16-15(17,18)11-4-1-3-10(7-11)9-21-13-6-2-5-12(8-13)20-14(19)22/h1-8H,9H2,(H3,19,20,22)
InChIKey
GKFKSIKWHGSIEX-UHFFFAOYSA-N
Compound name
[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

326.07007 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.07735 169.4
[M+Na]+ 349.05929 176.4
[M-H]- 325.06279 171.5
[M+NH4]+ 344.10389 182.9
[M+K]+ 365.03323 170.2
[M+H-H2O]+ 309.06733 159.0
[M+HCOO]- 371.06827 184.2
[M+CH3COO]- 385.08392 209.5
[M+Na-2H]- 347.04474 170.5
[M]+ 326.06952 165.5
[M]- 326.07062 165.5
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