CID 53831228

[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]urea

Structural Information

Molecular Formula
C10H6Cl2F6N2O2
SMILES
C1=C(C(=CC(=C1Cl)OC(C(C(F)(F)F)F)(F)F)Cl)NC(=O)N
InChI
InChI=1S/C10H6Cl2F6N2O2/c11-3-2-6(4(12)1-5(3)20-8(19)21)22-10(17,18)7(13)9(14,15)16/h1-2,7H,(H3,19,20,21)
InChIKey
GCOYQBALNHRFMV-UHFFFAOYSA-N
Compound name
[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1
Patents

369.97104 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.97832 165.1
[M+Na]+ 392.96026 175.2
[M-H]- 368.96376 160.9
[M+NH4]+ 388.00486 178.3
[M+K]+ 408.93420 169.2
[M+H-H2O]+ 352.96830 156.4
[M+HCOO]- 414.96924 170.8
[M+CH3COO]- 428.98489 216.1
[M+Na-2H]- 390.94571 165.4
[M]+ 369.97049 160.2
[M]- 369.97159 160.2
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