CID 91564343

[4-hydroxy-3-(trifluoromethyl)phenyl]urea

Structural Information

Molecular Formula
C8H7F3N2O2
SMILES
C1=CC(=C(C=C1NC(=O)N)C(F)(F)F)O
InChI
InChI=1S/C8H7F3N2O2/c9-8(10,11)5-3-4(13-7(12)15)1-2-6(5)14/h1-3,14H,(H3,12,13,15)
InChIKey
WJYSKHAHATWXAB-UHFFFAOYSA-N
Compound name
[4-hydroxy-3-(trifluoromethyl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

220.04596 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.05324 141.1
[M+Na]+ 243.03518 149.3
[M-H]- 219.03868 139.7
[M+NH4]+ 238.07978 158.1
[M+K]+ 259.00912 146.4
[M+H-H2O]+ 203.04322 133.0
[M+HCOO]- 265.04416 160.7
[M+CH3COO]- 279.05981 188.7
[M+Na-2H]- 241.02063 145.1
[M]+ 220.04541 134.2
[M]- 220.04651 134.2
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