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 149.9
[M+Na]+ 288.98650 162.9
[M-H]- 264.99000 148.3
[M+NH4]+ 284.03110 166.9
[M+K]+ 304.96044 158.5
[M+H-H2O]+ 248.99454 142.2
[M+HCOO]- 310.99548 162.4
[M+CH3COO]- 325.01113 187.3
[M+Na-2H]- 286.97195 155.4
[M]+ 265.99673 151.2
[M]- 265.99783 151.2
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.