CID 494733

Nsc630257

Structural Information

Molecular Formula
C13H11Cl2NO2
SMILES
C1C2C=CC1C(C2C3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C13H11Cl2NO2/c14-9-3-4-10(11(15)6-9)12-7-1-2-8(5-7)13(12)16(17)18/h1-4,6-8,12-13H,5H2
InChIKey
DAIZNWRWPDYRFJ-UHFFFAOYSA-N
Compound name
5-(2,4-dichlorophenyl)-6-nitrobicyclo[2.2.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.0167 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.02398 168.5
[M+Na]+ 306.00592 177.3
[M-H]- 282.00942 173.9
[M+NH4]+ 301.05052 189.8
[M+K]+ 321.97986 167.4
[M+H-H2O]+ 266.01396 169.0
[M+HCOO]- 328.01490 182.2
[M+CH3COO]- 342.03055 193.0
[M+Na-2H]- 303.99137 170.3
[M]+ 283.01615 170.0
[M]- 283.01725 170.0
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

No patent data available for this compound.