CID 66557814

5-bromo-4-(trimethylsilyl)pyridin-3-yl trifluoromethanesulfonate

Structural Information

Molecular Formula
C9H11BrF3NO3SSi
SMILES
C[Si](C)(C)C1=C(C=NC=C1OS(=O)(=O)C(F)(F)F)Br
InChI
InChI=1S/C9H11BrF3NO3SSi/c1-19(2,3)8-6(10)4-14-5-7(8)17-18(15,16)9(11,12)13/h4-5H,1-3H3
InChIKey
DFTOVRWLXREECB-UHFFFAOYSA-N
Compound name
(5-bromo-4-trimethylsilylpyridin-3-yl) trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.93643 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.94371 164.0
[M+Na]+ 399.92565 177.3
[M-H]- 375.92915 166.0
[M+NH4]+ 394.97025 180.2
[M+K]+ 415.89959 165.2
[M+H-H2O]+ 359.93369 161.7
[M+HCOO]- 421.93463 173.1
[M+CH3COO]- 435.95028 205.4
[M+Na-2H]- 397.91110 169.6
[M]+ 376.93588 183.5
[M]- 376.93698 183.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.