CID 2775503

2-(methylsulfonyl)-1-(2-(trifluoromethyl)phenyl)ethanone

Structural Information

Molecular Formula
C10H9F3O3S
SMILES
CS(=O)(=O)CC(=O)C1=CC=CC=C1C(F)(F)F
InChI
InChI=1S/C10H9F3O3S/c1-17(15,16)6-9(14)7-4-2-3-5-8(7)10(11,12)13/h2-5H,6H2,1H3
InChIKey
SCGOBFQQPDHVJD-UHFFFAOYSA-N
Compound name
2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

266.02246 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.029736 150.0
[M+Na]+ 289.011678 159.1
[M-H]- 265.015184 150.2
[M+NH4]+ 284.056283 167.0
[M+K]+ 304.985618 155.8
[M+H-H2O]+ 249.019720 142.1
[M+HCOO]- 311.020661 162.9
[M+CH3COO]- 325.036311 191.9
[M+Na-2H]- 286.997126 152.8
[M]+ 266.02191142 149.8
[M]- 266.02300858 149.8
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