CID 99779854

1262538-11-3

Structural Information

Molecular Formula
C12H7BF3S
SMILES
[B-](C1=C2C(=CC=C1)C3=CC=CC=C3S2)(F)(F)F
InChI
InChI=1S/C12H7BF3S/c14-13(15,16)10-6-3-5-9-8-4-1-2-7-11(8)17-12(9)10/h1-7H/q-1
InChIKey
VCOIHXAGYJVPDZ-UHFFFAOYSA-N
Compound name
dibenzothiophen-4-yl(trifluoro)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.03136 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.03864 143.5
[M+Na]+ 274.02058 155.3
[M-H]- 250.02408 144.6
[M+NH4]+ 269.06518 165.1
[M+K]+ 289.99452 149.5
[M+H-H2O]+ 234.02862 138.4
[M+HCOO]- 296.02956 158.5
[M+CH3COO]- 310.04521 189.4
[M+Na-2H]- 272.00603 148.3
[M]+ 251.03081 141.7
[M]- 251.03191 141.7
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.