CID 3084878

42855-00-5

Structural Information

Molecular Formula
C10H10ClNO6
SMILES
COC1=C(C=C(C(=C1)COC(=O)Cl)[N+](=O)[O-])OC
InChI
InChI=1S/C10H10ClNO6/c1-16-8-3-6(5-18-10(11)13)7(12(14)15)4-9(8)17-2/h3-4H,5H2,1-2H3
InChIKey
RWWPKIOWBQFXEE-UHFFFAOYSA-N
Compound name
(4,5-dimethoxy-2-nitrophenyl)methyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

273
Patents

275.01965 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.02693 153.8
[M+Na]+ 298.00887 162.4
[M-H]- 274.01237 158.0
[M+NH4]+ 293.05347 170.3
[M+K]+ 313.98281 156.9
[M+H-H2O]+ 258.01691 153.3
[M+HCOO]- 320.01785 174.7
[M+CH3COO]- 334.03350 190.3
[M+Na-2H]- 295.99432 159.1
[M]+ 275.01910 160.4
[M]- 275.02020 160.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe