CID 74843

2024-88-6

Structural Information

Molecular Formula
C17H14Cl2O4
SMILES
CC(C)(C1=CC=C(C=C1)OC(=O)Cl)C2=CC=C(C=C2)OC(=O)Cl
InChI
InChI=1S/C17H14Cl2O4/c1-17(2,11-3-7-13(8-4-11)22-15(18)20)12-5-9-14(10-6-12)23-16(19)21/h3-10H,1-2H3
InChIKey
MMWCQWOKHLEYSP-UHFFFAOYSA-N
Compound name
[4-[2-(4-carbonochloridoyloxyphenyl)propan-2-yl]phenyl] carbonochloridate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

549
Patents

352.02692 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.03420 173.8
[M+Na]+ 375.01614 182.6
[M-H]- 351.01964 180.4
[M+NH4]+ 370.06074 188.3
[M+K]+ 390.99008 177.7
[M+H-H2O]+ 335.02418 168.1
[M+HCOO]- 397.02512 185.5
[M+CH3COO]- 411.04077 208.5
[M+Na-2H]- 373.00159 176.6
[M]+ 352.02637 181.0
[M]- 352.02747 181.0
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