CID 75525579

1,1-difluoro-4-(trimethylsilyl)but-3-yn-2-one

Structural Information

Molecular Formula
C7H10F2OSi
SMILES
C[Si](C)(C)C#CC(=O)C(F)F
InChI
InChI=1S/C7H10F2OSi/c1-11(2,3)5-4-6(10)7(8)9/h7H,1-3H3
InChIKey
DCQYZIDNCGTYAH-UHFFFAOYSA-N
Compound name
1,1-difluoro-4-trimethylsilylbut-3-yn-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.04689 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.05417 132.3
[M+Na]+ 199.03611 141.3
[M-H]- 175.03961 129.7
[M+NH4]+ 194.08071 150.9
[M+K]+ 215.01005 140.0
[M+H-H2O]+ 159.04415 120.7
[M+HCOO]- 221.04509 145.4
[M+CH3COO]- 235.06074 187.3
[M+Na-2H]- 197.02156 134.9
[M]+ 176.04634 125.0
[M]- 176.04744 125.0
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.