CID 12991882

9-anthracenecarboxylic acid, (triethoxysilyl)methyl ester

Structural Information

Molecular Formula
C22H26O5Si
SMILES
CCO[Si](COC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31)(OCC)OCC
InChI
InChI=1S/C22H26O5Si/c1-4-25-28(26-5-2,27-6-3)16-24-22(23)21-19-13-9-7-11-17(19)15-18-12-8-10-14-20(18)21/h7-15H,4-6,16H2,1-3H3
InChIKey
YFQYJYRFAOGFSJ-UHFFFAOYSA-N
Compound name
triethoxysilylmethyl anthracene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

398.15494 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.16222 195.4
[M+Na]+ 421.14416 201.7
[M-H]- 397.14766 200.0
[M+NH4]+ 416.18876 208.8
[M+K]+ 437.11810 198.7
[M+H-H2O]+ 381.15220 186.4
[M+HCOO]- 443.15314 214.3
[M+CH3COO]- 457.16879 220.5
[M+Na-2H]- 419.12961 201.5
[M]+ 398.15439 204.7
[M]- 398.15549 204.7
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