CID 10509

Tetranitromethane

Structural Information

Molecular Formula
CN4O8
SMILES
C([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/CN4O8/c6-2(7)1(3(8)9,4(10)11)5(12)13
InChIKey
NYTOUQBROMCLBJ-UHFFFAOYSA-N
Compound name
tetranitromethane
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

445
References

19740
Patents

195.97162 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.97890 176.0
[M+Na]+ 218.96084 181.3
[M-H]- 194.96434 181.9
[M+NH4]+ 214.00544 184.0
[M+K]+ 234.93478 179.1
[M+H-H2O]+ 178.96888 150.0
[M+HCOO]- 240.96982 191.1
[M+CH3COO]- 254.98547 168.0
[M+Na-2H]- 216.94629 174.8
[M]+ 195.97107 167.1
[M]- 195.97217 167.1
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.