CID 386475

Nsc678501

Structural Information

Molecular Formula

C₁₀H₁₈Cl₂OSi₂

SMILES

C[Si](C)(C)C1=C(C(C1=O)(Cl)Cl)[Si](C)(C)C

InChI

InChI=1S/C10H18Cl2OSi2/c1-14(2,3)7-8(13)10(11,12)9(7)15(4,5)6/h1-6H3

InChIKey

XZWMITGVWSSHQN-UHFFFAOYSA-N

Compound name

4,4-dichloro-2,3-bis(trimethylsilyl)cyclobut-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 280.0273 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	281.03458	150.4
[M+Na]+	303.01652	160.6
[M-H]-	279.02002	154.3
[M+NH4]+	298.06112	165.8
[M+K]+	318.99046	158.2
[M+H-H2O]+	263.02456	144.7
[M+HCOO]-	325.02550	160.2
[M+CH3COO]-	339.04115	199.3
[M+Na-2H]-	301.00197	155.0
[M]+	280.02675	164.6
[M]-	280.02785	164.6

Literature stripe

literature stripe

Patent stripe

patents stripe