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

6
Patents

185.03558 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.042856 137.3
[M+Na]+ 208.024798 145.7
[M-H]- 184.028304 140.6
[M+NH4]+ 203.069403 156.8
[M+K]+ 223.998738 141.9
[M+H-H2O]+ 168.032840 132.2
[M+HCOO]- 230.033781 159.2
[M+CH3COO]- 244.049431 186.5
[M+Na-2H]- 206.010246 141.9
[M]+ 185.03503142 135.0
[M]- 185.03612858 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