CID 294516

4-chloro-1,5-dinitronaphthalene

Structural Information

Molecular Formula
C10H5ClN2O4
SMILES
C1=CC2=C(C=CC(=C2C(=C1)[N+](=O)[O-])Cl)[N+](=O)[O-]
InChI
InChI=1S/C10H5ClN2O4/c11-7-4-5-8(12(14)15)6-2-1-3-9(10(6)7)13(16)17/h1-5H
InChIKey
KCMPORJIBRHUHC-UHFFFAOYSA-N
Compound name
4-chloro-1,5-dinitronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

251.99379 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.00107 151.2
[M+Na]+ 274.98301 158.8
[M-H]- 250.98651 155.6
[M+NH4]+ 270.02761 167.8
[M+K]+ 290.95695 147.4
[M+H-H2O]+ 234.99105 155.0
[M+HCOO]- 296.99199 171.9
[M+CH3COO]- 311.00764 183.2
[M+Na-2H]- 272.96846 160.7
[M]+ 251.99324 151.0
[M]- 251.99434 151.0
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