CID 20114395

[3-(trifluoromethoxy)phenyl]urea

Structural Information

Molecular Formula
C8H7F3N2O2
SMILES
C1=CC(=CC(=C1)OC(F)(F)F)NC(=O)N
InChI
InChI=1S/C8H7F3N2O2/c9-8(10,11)15-6-3-1-2-5(4-6)13-7(12)14/h1-4H,(H3,12,13,14)
InChIKey
CJJFXIYSNIDTMY-UHFFFAOYSA-N
Compound name
[3-(trifluoromethoxy)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

220.04596 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.053236 140.8
[M+Na]+ 243.035178 148.4
[M-H]- 219.038684 140.4
[M+NH4]+ 238.079783 158.2
[M+K]+ 259.009118 146.4
[M+H-H2O]+ 203.043220 132.2
[M+HCOO]- 265.044161 162.0
[M+CH3COO]- 279.059811 189.9
[M+Na-2H]- 241.020626 146.0
[M]+ 220.04541142 135.4
[M]- 220.04650858 135.4
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