CID 379568

102339-00-4

Structural Information

Molecular Formula
C8H8ClN3O2
SMILES
C1=CC(=CC=C1NC(=O)NNC=O)Cl
InChI
InChI=1S/C8H8ClN3O2/c9-6-1-3-7(4-2-6)11-8(14)12-10-5-13/h1-5H,(H,10,13)(H2,11,12,14)
InChIKey
UIKAWTVORRTDHA-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)carbamoylamino]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.0305 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.037776 142.5
[M+Na]+ 236.019718 149.8
[M-H]- 212.023224 146.3
[M+NH4]+ 231.064323 161.1
[M+K]+ 251.993658 146.3
[M+H-H2O]+ 196.027760 136.7
[M+HCOO]- 258.028701 165.8
[M+CH3COO]- 272.044351 190.1
[M+Na-2H]- 234.005166 149.6
[M]+ 213.02995142 142.9
[M]- 213.03104858 142.9
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.