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

1
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

patents stripe