CID 2400464

6-trifluoromethanesulfonyl-1h-1,3-benzodiazol-1-ol

Structural Information

Molecular Formula
C8H5F3N2O3S
SMILES
C1=CC2=C(C=C1S(=O)(=O)C(F)(F)F)N(C=N2)O
InChI
InChI=1S/C8H5F3N2O3S/c9-8(10,11)17(15,16)5-1-2-6-7(3-5)13(14)4-12-6/h1-4,14H
InChIKey
LORIRSIQDSQHTC-UHFFFAOYSA-N
Compound name
1-hydroxy-6-(trifluoromethylsulfonyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.99728 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.00456 155.1
[M+Na]+ 288.98650 163.4
[M+NH4]+ 284.03110 159.1
[M+K]+ 304.96044 160.2
[M-H]- 264.99000 149.3
[M+Na-2H]- 286.97195 157.2
[M]+ 265.99673 154.7
[M]- 265.99783 154.7
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.