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

1
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

patents stripe