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

20206
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

literature stripe

Patent stripe

patents stripe