CID 9561885

Nsc85187

Structural Information

Molecular Formula
C4H4F6N4
SMILES
C(=N\N=C(/N)\C(F)(F)F)(\N)/C(F)(F)F
InChI
InChI=1S/C4H4F6N4/c5-3(6,7)1(11)13-14-2(12)4(8,9)10/h(H2,11,13)(H2,12,14)
InChIKey
MLFPPBBRUBCZBY-UHFFFAOYSA-N
Compound name
N'-[(Z)-(1-amino-2,2,2-trifluoroethylidene)amino]-2,2,2-trifluoroethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.03401 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.04129 136.4
[M+Na]+ 245.02323 143.4
[M-H]- 221.02673 131.2
[M+NH4]+ 240.06783 153.8
[M+K]+ 260.99717 142.8
[M+H-H2O]+ 205.03127 125.8
[M+HCOO]- 267.03221 155.4
[M+CH3COO]- 281.04786 199.5
[M+Na-2H]- 243.00868 139.7
[M]+ 222.03346 123.6
[M]- 222.03456 123.6
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.