CID 2754508

7-nitro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde

Structural Information

Molecular Formula
C9H7NO5
SMILES
C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C=O
InChI
InChI=1S/C9H7NO5/c11-5-6-3-8-9(15-2-1-14-8)4-7(6)10(12)13/h3-5H,1-2H2
InChIKey
GXHARUBNCVHGDM-UHFFFAOYSA-N
Compound name
6-nitro-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

209.03242 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.03970 138.6
[M+Na]+ 232.02164 145.9
[M-H]- 208.02514 144.6
[M+NH4]+ 227.06624 154.8
[M+K]+ 247.99558 142.7
[M+H-H2O]+ 192.02968 137.0
[M+HCOO]- 254.03062 160.2
[M+CH3COO]- 268.04627 178.9
[M+Na-2H]- 230.00709 149.7
[M]+ 209.03187 139.0
[M]- 209.03297 139.0
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