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]+ 248.10053 150.9
[M+Na]+ 270.08247 157.1
[M-H]- 246.08597 152.1
[M+NH4]+ 265.12707 167.9
[M+K]+ 286.05641 155.9
[M+H-H2O]+ 230.09051 141.4
[M+HCOO]- 292.09145 173.3
[M+CH3COO]- 306.10710 202.4
[M+Na-2H]- 268.06792 155.6
[M]+ 247.09270 146.2
[M]- 247.09380 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.