CID 165948522

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

Structural Information

Molecular Formula
C11H13BrFNSi
SMILES
C[Si](C)(C)C#CC1=C(C(=CC(=C1)Br)F)N
InChI
InChI=1S/C11H13BrFNSi/c1-15(2,3)5-4-8-6-9(12)7-10(13)11(8)14/h6-7H,14H2,1-3H3
InChIKey
UZPZJWUCTNQNGM-UHFFFAOYSA-N
Compound name
4-bromo-2-fluoro-6-(2-trimethylsilylethynyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.99847 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.00575 156.3
[M+Na]+ 307.98769 170.1
[M-H]- 283.99119 158.5
[M+NH4]+ 303.03229 174.3
[M+K]+ 323.96163 156.9
[M+H-H2O]+ 267.99573 149.4
[M+HCOO]- 329.99667 172.0
[M+CH3COO]- 344.01232 204.1
[M+Na-2H]- 305.97314 159.6
[M]+ 284.99792 165.7
[M]- 284.99902 165.7
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

No patent data available for this compound.