CID 853702

2-[(4-fluorophenyl)sulfanyl]-n-(2-methoxy-5-methylphenyl)acetamide

Structural Information

Molecular Formula
C16H16FNO2S
SMILES
CC1=CC(=C(C=C1)OC)NC(=O)CSC2=CC=C(C=C2)F
InChI
InChI=1S/C16H16FNO2S/c1-11-3-8-15(20-2)14(9-11)18-16(19)10-21-13-6-4-12(17)5-7-13/h3-9H,10H2,1-2H3,(H,18,19)
InChIKey
IXVHQEGKMPTKFK-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.0886 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.09588 167.7
[M+Na]+ 328.07782 175.3
[M-H]- 304.08132 173.3
[M+NH4]+ 323.12242 183.0
[M+K]+ 344.05176 170.4
[M+H-H2O]+ 288.08586 158.9
[M+HCOO]- 350.08680 185.7
[M+CH3COO]- 364.10245 206.1
[M+Na-2H]- 326.06327 168.5
[M]+ 305.08805 170.5
[M]- 305.08915 170.5
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.