CID 6271253

Nsc673154

Structural Information

Molecular Formula
C10H6ClN3O5
SMILES
C1=CC=C2C(=C1)N/C(=C(/C=C(/[N+](=O)[O-])\Cl)\[N+](=O)[O-])/O2
InChI
InChI=1S/C10H6ClN3O5/c11-9(14(17)18)5-7(13(15)16)10-12-6-3-1-2-4-8(6)19-10/h1-5,12H/b9-5+,10-7+
InChIKey
IGEZNWXDYLLDLO-FWMCCXIMSA-N
Compound name
(2E)-2-[(Z)-3-chloro-1,3-dinitroprop-2-enylidene]-3H-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.9996 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.00688 161.2
[M+Na]+ 305.98882 165.3
[M-H]- 281.99232 162.8
[M+NH4]+ 301.03342 174.1
[M+K]+ 321.96276 154.2
[M+H-H2O]+ 265.99686 164.4
[M+HCOO]- 327.99780 176.2
[M+CH3COO]- 342.01345 181.0
[M+Na-2H]- 303.97427 168.1
[M]+ 282.99905 156.7
[M]- 283.00015 156.7
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.