CID 125449013

1337505-77-7

Structural Information

Molecular Formula
C12H16BFO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)S(=O)(=O)F
InChI
InChI=1S/C12H16BFO4S/c1-11(2)12(3,4)18-13(17-11)9-5-7-10(8-6-9)19(14,15)16/h5-8H,1-4H3
InChIKey
XHAPVQLJEKERJW-UHFFFAOYSA-N
Compound name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.08463 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.091906 153.6
[M+Na]+ 309.073848 164.3
[M-H]- 285.077354 161.5
[M+NH4]+ 304.118453 173.7
[M+K]+ 325.047788 164.3
[M+H-H2O]+ 269.081890 149.8
[M+HCOO]- 331.082831 168.5
[M+CH3COO]- 345.098481 195.5
[M+Na-2H]- 307.059296 159.2
[M]+ 286.08408142 158.8
[M]- 286.08517858 158.8
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

patents stripe