CID 2775509

2-(methylsulfonyl)-1-[4-(trifluoromethyl)phenyl]ethanone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.02246 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.02974 150.0
[M+Na]+ 289.01168 159.1
[M-H]- 265.01518 150.2
[M+NH4]+ 284.05628 167.0
[M+K]+ 304.98562 155.8
[M+H-H2O]+ 249.01972 142.1
[M+HCOO]- 311.02066 162.9
[M+CH3COO]- 325.03631 191.9
[M+Na-2H]- 286.99713 152.8
[M]+ 266.02191 149.8
[M]- 266.02301 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

No patent data available for this compound.