CID 3355311

1,1-dimethyl-4-(3-trifluoromethylphenyl)semicarbazide

Structural Information

Molecular Formula
C10H12F3N3O
SMILES
CN(C)NC(=O)NC1=CC=CC(=C1)C(F)(F)F
InChI
InChI=1S/C10H12F3N3O/c1-16(2)15-9(17)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H2,14,15,17)
InChIKey
YEAMESWUEAOOCR-UHFFFAOYSA-N
Compound name
1-(dimethylamino)-3-[3-(trifluoromethyl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.09325 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.100526 150.9
[M+Na]+ 270.082468 157.1
[M-H]- 246.085974 152.1
[M+NH4]+ 265.127073 167.9
[M+K]+ 286.056408 155.9
[M+H-H2O]+ 230.090510 141.4
[M+HCOO]- 292.091451 173.3
[M+CH3COO]- 306.107101 202.4
[M+Na-2H]- 268.067916 155.6
[M]+ 247.09270142 146.2
[M]- 247.09379858 146.2
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

No patent data available for this compound.