CID 2757857

206559-50-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

185.03558 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.042856 136.8
[M+Na]+ 208.024798 144.4
[M-H]- 184.028304 140.3
[M+NH4]+ 203.069403 156.4
[M+K]+ 223.998738 140.8
[M+H-H2O]+ 168.032840 131.5
[M+HCOO]- 230.033781 159.4
[M+CH3COO]- 244.049431 185.1
[M+Na-2H]- 206.010246 143.3
[M]+ 185.03503142 135.1
[M]- 185.03612858 135.1
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