CID 3075957

Brn 4769393

Structural Information

Molecular Formula
C26H18Cl2O4Si
SMILES
C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC(=C3Cl)C(=O)O)C4=CC=CC(=C4Cl)C(=O)O
InChI
InChI=1S/C26H18Cl2O4Si/c27-23-19(25(29)30)13-7-15-21(23)33(17-9-3-1-4-10-17,18-11-5-2-6-12-18)22-16-8-14-20(24(22)28)26(31)32/h1-16H,(H,29,30)(H,31,32)
InChIKey
SHXMTNVBWGZJIE-UHFFFAOYSA-N
Compound name
3-[(3-carboxy-2-chlorophenyl)-diphenylsilyl]-2-chlorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.03516 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.04244 209.3
[M+Na]+ 515.02438 216.2
[M-H]- 491.02788 218.5
[M+NH4]+ 510.06898 216.1
[M+K]+ 530.99832 208.4
[M+H-H2O]+ 475.03242 200.2
[M+HCOO]- 537.03336 216.6
[M+CH3COO]- 551.04901 229.2
[M+Na-2H]- 513.00983 209.3
[M]+ 492.03461 212.4
[M]- 492.03571 212.4
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.