CID 495654

Nsc665635

Structural Information

Molecular Formula
C19H23F3GeO4
SMILES
CC[Ge](CC)(CC)C#CCOC(=O)C(C1=CC=CC=C1)OC(=O)C(F)(F)F
InChI
InChI=1S/C19H23F3GeO4/c1-4-23(5-2,6-3)13-10-14-26-17(24)16(15-11-8-7-9-12-15)27-18(25)19(20,21)22/h7-9,11-12,16H,4-6,14H2,1-3H3
InChIKey
VXMLCQOMJSJAFZ-UHFFFAOYSA-N
Compound name
[2-oxo-1-phenyl-2-(3-triethylgermylprop-2-ynoxy)ethyl] 2,2,2-trifluoroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.07602 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.08330 199.9
[M+Na]+ 469.06524 205.6
[M-H]- 445.06874 196.7
[M+NH4]+ 464.10984 209.2
[M+K]+ 485.03918 201.6
[M+H-H2O]+ 429.07328 184.3
[M+HCOO]- 491.07422 207.6
[M+CH3COO]- 505.08987 223.1
[M+Na-2H]- 467.05069 197.0
[M]+ 446.07547 194.8
[M]- 446.07657 194.8
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.