CID 16776424

(3-amino-4-chlorophenyl)urea

Structural Information

Molecular Formula
C7H8ClN3O
SMILES
C1=CC(=C(C=C1NC(=O)N)N)Cl
InChI
InChI=1S/C7H8ClN3O/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,9H2,(H3,10,11,12)
InChIKey
HEDZDBXQLRNBHC-UHFFFAOYSA-N
Compound name
(3-amino-4-chlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

185.03558 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.04286 137.3
[M+Na]+ 208.02480 145.7
[M-H]- 184.02830 140.6
[M+NH4]+ 203.06940 156.8
[M+K]+ 223.99874 141.9
[M+H-H2O]+ 168.03284 132.2
[M+HCOO]- 230.03378 159.2
[M+CH3COO]- 244.04943 186.5
[M+Na-2H]- 206.01025 141.9
[M]+ 185.03503 135.0
[M]- 185.03613 135.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe