CID 167720817

4-bromo-2-(trifluoromethoxy)-6-[2-(trimethylsilyl)ethynyl]aniline

Structural Information

Molecular Formula
C12H13BrF3NOSi
SMILES
C[Si](C)(C)C#CC1=C(C(=CC(=C1)Br)OC(F)(F)F)N
InChI
InChI=1S/C12H13BrF3NOSi/c1-19(2,3)5-4-8-6-9(13)7-10(11(8)17)18-12(14,15)16/h6-7H,17H2,1-3H3
InChIKey
YTWBYSYJBJOOSC-UHFFFAOYSA-N
Compound name
4-bromo-2-(trifluoromethoxy)-6-(2-trimethylsilylethynyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.9902 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.99748 171.0
[M+Na]+ 373.97942 184.2
[M-H]- 349.98292 170.7
[M+NH4]+ 369.02402 186.3
[M+K]+ 389.95336 171.3
[M+H-H2O]+ 333.98746 162.3
[M+HCOO]- 395.98840 183.3
[M+CH3COO]- 410.00405 212.8
[M+Na-2H]- 371.96487 173.0
[M]+ 350.98965 178.9
[M]- 350.99075 178.9
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.