CID 212481

24291-69-8

Structural Information

Molecular Formula
C10H6Cl2N2O6
SMILES
CC(=C)C(=O)OC1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C10H6Cl2N2O6/c1-4(2)10(15)20-9-5(11)3-6(13(16)17)7(12)8(9)14(18)19/h3H,1H2,2H3
InChIKey
OXQBCZMXEKVZOL-UHFFFAOYSA-N
Compound name
(3,6-dichloro-2,4-dinitrophenyl) 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.9603 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.96758 165.3
[M+Na]+ 342.94952 172.5
[M-H]- 318.95302 168.2
[M+NH4]+ 337.99412 178.7
[M+K]+ 358.92346 161.5
[M+H-H2O]+ 302.95756 170.8
[M+HCOO]- 364.95850 180.2
[M+CH3COO]- 378.97415 193.4
[M+Na-2H]- 340.93497 168.6
[M]+ 319.95975 167.5
[M]- 319.96085 167.5
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