CID 197975

Brn 0891065

Structural Information

Molecular Formula
C9H7F3N2O2S
SMILES
CS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)C(F)(F)F
InChI
InChI=1S/C9H7F3N2O2S/c1-17(15,16)5-2-3-6-7(4-5)14-8(13-6)9(10,11)12/h2-4H,1H3,(H,13,14)
InChIKey
PUYGYIFHWWRBRD-UHFFFAOYSA-N
Compound name
6-methylsulfonyl-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

264.01804 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.02532 151.2
[M+Na]+ 287.00726 164.0
[M-H]- 263.01076 149.4
[M+NH4]+ 282.05186 168.5
[M+K]+ 302.98120 158.9
[M+H-H2O]+ 247.01530 143.5
[M+HCOO]- 309.01624 163.2
[M+CH3COO]- 323.03189 188.1
[M+Na-2H]- 284.99271 156.0
[M]+ 264.01749 151.5
[M]- 264.01859 151.5
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