CID 15629018

4-(trifluoromethyl)phenyl methanesulfonate

Structural Information

Molecular Formula
C8H7F3O3S
SMILES
CS(=O)(=O)OC1=CC=C(C=C1)C(F)(F)F
InChI
InChI=1S/C8H7F3O3S/c1-15(12,13)14-7-4-2-6(3-5-7)8(9,10)11/h2-5H,1H3
InChIKey
USSPAXCYRHZSFF-UHFFFAOYSA-N
Compound name
[4-(trifluoromethyl)phenyl] methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

31
Patents

240.0068 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.01408 142.8
[M+Na]+ 262.99602 152.8
[M-H]- 238.99952 143.3
[M+NH4]+ 258.04062 161.0
[M+K]+ 278.96996 150.0
[M+H-H2O]+ 223.00406 135.1
[M+HCOO]- 285.00500 157.2
[M+CH3COO]- 299.02065 186.0
[M+Na-2H]- 260.98147 147.5
[M]+ 240.00625 143.2
[M]- 240.00735 143.2
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.