CID 4278917

N-(2,4-difluorophenyl)-2-(dodecylsulfanyl)acetamide

Structural Information

Molecular Formula
C20H31F2NOS
SMILES
CCCCCCCCCCCCSCC(=O)NC1=C(C=C(C=C1)F)F
InChI
InChI=1S/C20H31F2NOS/c1-2-3-4-5-6-7-8-9-10-11-14-25-16-20(24)23-19-13-12-17(21)15-18(19)22/h12-13,15H,2-11,14,16H2,1H3,(H,23,24)
InChIKey
WBNWLHILKHVPBU-UHFFFAOYSA-N
Compound name
N-(2,4-difluorophenyl)-2-dodecylsulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.20944 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.21672 189.6
[M+Na]+ 394.19866 193.2
[M-H]- 370.20216 188.8
[M+NH4]+ 389.24326 202.3
[M+K]+ 410.17260 186.9
[M+H-H2O]+ 354.20670 179.5
[M+HCOO]- 416.20764 203.3
[M+CH3COO]- 430.22329 221.8
[M+Na-2H]- 392.18411 185.7
[M]+ 371.20889 193.3
[M]- 371.20999 193.3
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.