CID 3059236

1,3-dimethyl-5-(2-(trifluoromethyl)phenyl)biuret

Structural Information

Molecular Formula
C11H14F3N3O2
SMILES
CC1(CC=CC=C1NC(=O)N(C)C(=O)N)C(F)(F)F
InChI
InChI=1S/C11H14F3N3O2/c1-10(11(12,13)14)6-4-3-5-7(10)16-9(19)17(2)8(15)18/h3-5H,6H2,1-2H3,(H2,15,18)(H,16,19)
InChIKey
GTRNTPDRCMFMKT-UHFFFAOYSA-N
Compound name
1-carbamoyl-1-methyl-3-[6-methyl-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.10382 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11110 157.9
[M+Na]+ 300.09304 163.7
[M-H]- 276.09654 158.5
[M+NH4]+ 295.13764 175.3
[M+K]+ 316.06698 163.1
[M+H-H2O]+ 260.10108 149.7
[M+HCOO]- 322.10202 177.4
[M+CH3COO]- 336.11767 206.2
[M+Na-2H]- 298.07849 160.4
[M]+ 277.10327 151.6
[M]- 277.10437 151.6
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

No patent data available for this compound.