CID 139595717

[3-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]urea

Structural Information

Molecular Formula
C10H7ClF6N2O3
SMILES
C1=CC(=C(C=C1NC(=O)N)Cl)OC(C(OC(F)(F)F)F)(F)F
InChI
InChI=1S/C10H7ClF6N2O3/c11-5-3-4(19-8(18)20)1-2-6(5)21-9(13,14)7(12)22-10(15,16)17/h1-3,7H,(H3,18,19,20)
InChIKey
KEVRTKYDPZZPIA-UHFFFAOYSA-N
Compound name
[3-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

352.00494 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.01222 163.8
[M+Na]+ 374.99416 172.5
[M-H]- 350.99766 159.7
[M+NH4]+ 370.03876 176.8
[M+K]+ 390.96810 168.5
[M+H-H2O]+ 335.00220 153.7
[M+HCOO]- 397.00314 174.5
[M+CH3COO]- 411.01879 212.9
[M+Na-2H]- 372.97961 165.4
[M]+ 352.00439 158.4
[M]- 352.00549 158.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.