CID 15796

Fluorotrinitromethane

Structural Information

Molecular Formula
CFN3O6
SMILES
C([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])F
InChI
InChI=1S/CFN3O6/c2-1(3(6)7,4(8)9)5(10)11
InChIKey
IHOVZLJULZIGOW-UHFFFAOYSA-N
Compound name
fluoro(trinitro)methane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

30
Patents

168.97711 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.98439 161.1
[M+Na]+ 191.96633 168.5
[M-H]- 167.96983 164.8
[M+NH4]+ 187.01093 167.7
[M+K]+ 207.94027 163.9
[M+H-H2O]+ 151.97437 140.2
[M+HCOO]- 213.97531 179.7
[M+CH3COO]- 227.99096 163.9
[M+Na-2H]- 189.95178 159.8
[M]+ 168.97656 155.1
[M]- 168.97766 155.1
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