CID 16721

Naphthalene, 1,3,5-trinitro-

Structural Information

Molecular Formula
C10H5N3O6
SMILES
C1=CC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C(=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H5N3O6/c14-11(15)6-4-8-7(10(5-6)13(18)19)2-1-3-9(8)12(16)17/h1-5H
InChIKey
OVYNZJGOWOXAKN-UHFFFAOYSA-N
Compound name
1,3,5-trinitronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

263.01782 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.02510 155.9
[M+Na]+ 286.00704 160.9
[M-H]- 262.01054 160.2
[M+NH4]+ 281.05164 169.1
[M+K]+ 301.98098 147.3
[M+H-H2O]+ 246.01508 161.5
[M+HCOO]- 308.01602 179.9
[M+CH3COO]- 322.03167 183.5
[M+Na-2H]- 283.99249 166.8
[M]+ 263.01727 151.6
[M]- 263.01837 151.6
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

patents stripe