CID 5003969

Bisphenol z bis(chloroformate)

Structural Information

Molecular Formula
C20H18Cl2O4
SMILES
C1CCC(CC1)(C2=CC=C(C=C2)OC(=O)Cl)C3=CC=C(C=C3)OC(=O)Cl
InChI
InChI=1S/C20H18Cl2O4/c21-18(23)25-16-8-4-14(5-9-16)20(12-2-1-3-13-20)15-6-10-17(11-7-15)26-19(22)24/h4-11H,1-3,12-13H2
InChIKey
JBBVUMYPDFKNDK-UHFFFAOYSA-N
Compound name
[4-[1-(4-carbonochloridoyloxyphenyl)cyclohexyl]phenyl] carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

392.05823 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.06551 186.7
[M+Na]+ 415.04745 192.8
[M-H]- 391.05095 194.9
[M+NH4]+ 410.09205 200.5
[M+K]+ 431.02139 187.4
[M+H-H2O]+ 375.05549 179.3
[M+HCOO]- 437.05643 195.9
[M+CH3COO]- 451.07208 213.5
[M+Na-2H]- 413.03290 187.4
[M]+ 392.05768 188.9
[M]- 392.05878 188.9
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