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]+ 214.03778 142.5
[M+Na]+ 236.01972 149.8
[M-H]- 212.02322 146.3
[M+NH4]+ 231.06432 161.1
[M+K]+ 251.99366 146.3
[M+H-H2O]+ 196.02776 136.7
[M+HCOO]- 258.02870 165.8
[M+CH3COO]- 272.04435 190.1
[M+Na-2H]- 234.00517 149.6
[M]+ 213.02995 142.9
[M]- 213.03105 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.