CID 3569183

Dimethyl 2,2-bis(4-chlorobenzyl)malonate

Structural Information

Molecular Formula
C19H18Cl2O4
SMILES
COC(=O)C(CC1=CC=C(C=C1)Cl)(CC2=CC=C(C=C2)Cl)C(=O)OC
InChI
InChI=1S/C19H18Cl2O4/c1-24-17(22)19(18(23)25-2,11-13-3-7-15(20)8-4-13)12-14-5-9-16(21)10-6-14/h3-10H,11-12H2,1-2H3
InChIKey
LLTMIVXRKDOVEE-UHFFFAOYSA-N
Compound name
dimethyl 2,2-bis[(4-chlorophenyl)methyl]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.05823 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.06551 183.2
[M+Na]+ 403.04745 191.1
[M-H]- 379.05095 189.4
[M+NH4]+ 398.09205 196.5
[M+K]+ 419.02139 185.8
[M+H-H2O]+ 363.05549 177.0
[M+HCOO]- 425.05643 194.2
[M+CH3COO]- 439.07208 214.2
[M+Na-2H]- 401.03290 184.9
[M]+ 380.05768 191.1
[M]- 380.05878 191.1
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

No patent data available for this compound.