CID 75924

2711-20-8

Structural Information

Molecular Formula
C10H10ClF3N2O
SMILES
CN(C)C(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl
InChI
InChI=1S/C10H10ClF3N2O/c1-16(2)9(17)15-8-5-6(10(12,13)14)3-4-7(8)11/h3-5H,1-2H3,(H,15,17)
InChIKey
WPKYGXCUDANURX-UHFFFAOYSA-N
Compound name
3-[2-chloro-5-(trifluoromethyl)phenyl]-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.04337 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.05065 152.5
[M+Na]+ 289.03259 161.4
[M-H]- 265.03609 154.1
[M+NH4]+ 284.07719 170.4
[M+K]+ 305.00653 158.0
[M+H-H2O]+ 249.04063 144.7
[M+HCOO]- 311.04157 169.5
[M+CH3COO]- 325.05722 202.2
[M+Na-2H]- 287.01804 155.8
[M]+ 266.04282 151.3
[M]- 266.04392 151.3
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.