CID 123627900

3-chloro-5,5-dimethyl-5h-dibenzo[b,d]silole

Structural Information

Molecular Formula
C14H13ClSi
SMILES
C[Si]1(C2=CC=CC=C2C3=C1C=C(C=C3)Cl)C
InChI
InChI=1S/C14H13ClSi/c1-16(2)13-6-4-3-5-11(13)12-8-7-10(15)9-14(12)16/h3-9H,1-2H3
InChIKey
BQFCXBHLCVANDD-UHFFFAOYSA-N
Compound name
3-chloro-5,5-dimethylbenzo[b][1]benzosilole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

244.0475 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.054776 151.6
[M+Na]+ 267.036718 164.0
[M-H]- 243.040224 157.8
[M+NH4]+ 262.081323 177.2
[M+K]+ 283.010658 157.2
[M+H-H2O]+ 227.044760 146.7
[M+HCOO]- 289.045701 170.0
[M+CH3COO]- 303.061351 166.0
[M+Na-2H]- 265.022166 158.1
[M]+ 244.04695142 155.3
[M]- 244.04804858 155.3
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