CID 9571187

Nsc66296

Structural Information

Molecular Formula
C3H5Cl3N4
SMILES
C(=N/N=C(N)N)\C(Cl)(Cl)Cl
InChI
InChI=1S/C3H5Cl3N4/c4-3(5,6)1-9-10-2(7)8/h1H,(H4,7,8,10)/b9-1+
InChIKey
AJJMWEUYKUTSRX-XLUWADSXSA-N
Compound name
2-[(E)-2,2,2-trichloroethylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.95798 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.96526 144.2
[M+Na]+ 224.94720 151.8
[M-H]- 200.95070 144.8
[M+NH4]+ 219.99180 163.8
[M+K]+ 240.92114 147.8
[M+H-H2O]+ 184.95524 141.2
[M+HCOO]- 246.95618 157.2
[M+CH3COO]- 260.97183 192.8
[M+Na-2H]- 222.93265 148.5
[M]+ 201.95743 142.7
[M]- 201.95853 142.7
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.