CID 540244

1530-56-9

Structural Information

Molecular Formula
C11H10ClNO6
SMILES
CC(=O)OC(C1=C(C=C(C=C1)Cl)[N+](=O)[O-])OC(=O)C
InChI
InChI=1S/C11H10ClNO6/c1-6(14)18-11(19-7(2)15)9-4-3-8(12)5-10(9)13(16)17/h3-5,11H,1-2H3
InChIKey
JFZSKYRYLDKGRC-UHFFFAOYSA-N
Compound name
[acetyloxy-(4-chloro-2-nitrophenyl)methyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

287.01965 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.02693 156.5
[M+Na]+ 310.00887 163.6
[M-H]- 286.01237 160.4
[M+NH4]+ 305.05347 172.1
[M+K]+ 325.98281 158.4
[M+H-H2O]+ 270.01691 156.1
[M+HCOO]- 332.01785 175.4
[M+CH3COO]- 346.03350 191.9
[M+Na-2H]- 307.99432 159.7
[M]+ 287.01910 161.1
[M]- 287.02020 161.1
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