CID 130139689

Methyl 2-fluoro-4-methyl-3-(methylsulfanyl)benzoate

Structural Information

Molecular Formula
C10H11FO2S
SMILES
CC1=C(C(=C(C=C1)C(=O)OC)F)SC
InChI
InChI=1S/C10H11FO2S/c1-6-4-5-7(10(12)13-2)8(11)9(6)14-3/h4-5H,1-3H3
InChIKey
YXUXGKWTQRIKIS-UHFFFAOYSA-N
Compound name
methyl 2-fluoro-4-methyl-3-methylsulfanylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.04637 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.05365 140.9
[M+Na]+ 237.03559 150.7
[M-H]- 213.03909 144.3
[M+NH4]+ 232.08019 160.9
[M+K]+ 253.00953 148.1
[M+H-H2O]+ 197.04363 134.6
[M+HCOO]- 259.04457 158.4
[M+CH3COO]- 273.06022 187.6
[M+Na-2H]- 235.02104 141.7
[M]+ 214.04582 144.9
[M]- 214.04692 144.9
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.