CID 99768875

1259448-37-7

Structural Information

Molecular Formula
C12H14F3NO3SSi
SMILES
C[Si](C)(C)C1=C(C=CC2=C1C=CN2)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C12H14F3NO3SSi/c1-21(2,3)11-8-6-7-16-9(8)4-5-10(11)19-20(17,18)12(13,14)15/h4-7,16H,1-3H3
InChIKey
LLCJFYYASDIOJN-UHFFFAOYSA-N
Compound name
(4-trimethylsilyl-1H-indol-5-yl) trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

337.04156 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.04884 170.7
[M+Na]+ 360.03078 181.6
[M-H]- 336.03428 169.7
[M+NH4]+ 355.07538 186.8
[M+K]+ 376.00472 177.0
[M+H-H2O]+ 320.03882 163.3
[M+HCOO]- 382.03976 181.1
[M+CH3COO]- 396.05541 200.1
[M+Na-2H]- 358.01623 175.1
[M]+ 337.04101 172.7
[M]- 337.04211 172.7
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