CID 20499450

(3-chloro-4-fluorophenyl)urea

Structural Information

Molecular Formula
C7H6ClFN2O
SMILES
C1=CC(=C(C=C1NC(=O)N)Cl)F
InChI
InChI=1S/C7H6ClFN2O/c8-5-3-4(11-7(10)12)1-2-6(5)9/h1-3H,(H3,10,11,12)
InChIKey
PAIOBGQOUSRSNN-UHFFFAOYSA-N
Compound name
(3-chloro-4-fluorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

45
Patents

188.01527 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.02255 134.4
[M+Na]+ 211.00449 143.7
[M-H]- 187.00799 136.9
[M+NH4]+ 206.04909 154.4
[M+K]+ 226.97843 139.8
[M+H-H2O]+ 171.01253 128.8
[M+HCOO]- 233.01347 154.9
[M+CH3COO]- 247.02912 184.5
[M+Na-2H]- 208.98994 139.4
[M]+ 188.01472 132.8
[M]- 188.01582 132.8
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