CID 5277310

[3-[(3,4-difluorophenyl)methoxy]phenyl]thiourea

Structural Information

Molecular Formula
C14H12F2N2OS
SMILES
C1=CC(=CC(=C1)OCC2=CC(=C(C=C2)F)F)NC(=S)N
InChI
InChI=1S/C14H12F2N2OS/c15-12-5-4-9(6-13(12)16)8-19-11-3-1-2-10(7-11)18-14(17)20/h1-7H,8H2,(H3,17,18,20)
InChIKey
NJLXVIVIVWKYQI-UHFFFAOYSA-N
Compound name
[3-[(3,4-difluorophenyl)methoxy]phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

294.06384 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.07112 161.8
[M+Na]+ 317.05306 169.7
[M-H]- 293.05656 165.6
[M+NH4]+ 312.09766 176.9
[M+K]+ 333.02700 163.6
[M+H-H2O]+ 277.06110 152.3
[M+HCOO]- 339.06204 179.5
[M+CH3COO]- 353.07769 205.2
[M+Na-2H]- 315.03851 162.5
[M]+ 294.06329 159.7
[M]- 294.06439 159.7
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

patents stripe