CID 165759248

3-amino-1-(3,3-dichloroprop-2-en-1-yl)urea hydrochloride

Structural Information

Molecular Formula
C4H7Cl2N3O
SMILES
C(C=C(Cl)Cl)NC(=O)NN
InChI
InChI=1S/C4H7Cl2N3O/c5-3(6)1-2-8-4(10)9-7/h1H,2,7H2,(H2,8,9,10)
InChIKey
SQSXLEOLEQKQAV-UHFFFAOYSA-N
Compound name
1-amino-3-(3,3-dichloroprop-2-enyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.99661 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.00389 137.5
[M+Na]+ 205.98583 144.3
[M-H]- 181.98933 136.9
[M+NH4]+ 201.03043 157.3
[M+K]+ 221.95977 140.4
[M+H-H2O]+ 165.99387 134.2
[M+HCOO]- 227.99481 153.4
[M+CH3COO]- 242.01046 183.7
[M+Na-2H]- 203.97128 141.0
[M]+ 182.99606 135.8
[M]- 182.99716 135.8
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

No patent data available for this compound.