CID 83224414

2-methoxy-2-{4-[(trifluoromethyl)sulfanyl]phenyl}acetic acid

Structural Information

Molecular Formula
C10H9F3O3S
SMILES
COC(C1=CC=C(C=C1)SC(F)(F)F)C(=O)O
InChI
InChI=1S/C10H9F3O3S/c1-16-8(9(14)15)6-2-4-7(5-3-6)17-10(11,12)13/h2-5,8H,1H3,(H,14,15)
InChIKey
HSPIJBVOIUHZIK-UHFFFAOYSA-N
Compound name
2-methoxy-2-[4-(trifluoromethylsulfanyl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.02246 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.02974 158.7
[M+Na]+ 289.01168 165.7
[M+NH4]+ 284.05628 163.2
[M+K]+ 304.98562 160.5
[M-H]- 265.01518 154.2
[M+Na-2H]- 286.99713 160.5
[M]+ 266.02191 158.5
[M]- 266.02301 158.5
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

No patent data available for this compound.