CID 72221207

1864801-79-5

Structural Information

Molecular Formula
C13H17BF3NO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)S(=O)(=O)N)C(F)(F)F
InChI
InChI=1S/C13H17BF3NO4S/c1-11(2)12(3,4)22-14(21-11)8-5-6-10(23(18,19)20)9(7-8)13(15,16)17/h5-7H,1-4H3,(H2,18,19,20)
InChIKey
ASVCPGASCQEZNP-UHFFFAOYSA-N
Compound name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

351.09235 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.09963 167.7
[M+Na]+ 374.08157 178.0
[M-H]- 350.08507 172.3
[M+NH4]+ 369.12617 184.5
[M+K]+ 390.05551 177.2
[M+H-H2O]+ 334.08961 162.3
[M+HCOO]- 396.09055 178.7
[M+CH3COO]- 410.10620 209.6
[M+Na-2H]- 372.06702 172.3
[M]+ 351.09180 169.0
[M]- 351.09290 169.0
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