CID 85605436

(3,5-dichloro-2,4-difluorophenyl)urea

Structural Information

Molecular Formula
C7H4Cl2F2N2O
SMILES
C1=C(C(=C(C(=C1Cl)F)Cl)F)NC(=O)N
InChI
InChI=1S/C7H4Cl2F2N2O/c8-2-1-3(13-7(12)14)6(11)4(9)5(2)10/h1H,(H3,12,13,14)
InChIKey
IFNWPVOGRPXDCH-UHFFFAOYSA-N
Compound name
(3,5-dichloro-2,4-difluorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

239.96687 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.97415 142.0
[M+Na]+ 262.95609 153.5
[M-H]- 238.95959 143.0
[M+NH4]+ 258.00069 160.9
[M+K]+ 278.93003 147.7
[M+H-H2O]+ 222.96413 136.9
[M+HCOO]- 284.96507 156.4
[M+CH3COO]- 298.98072 194.3
[M+Na-2H]- 260.94154 144.3
[M]+ 239.96632 141.3
[M]- 239.96742 141.3
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.