CID 3077636

134987-46-5

Structural Information

Molecular Formula
C16H18FNOS
SMILES
CN(C)CC1=C(C=C(C=C1)F)SC2=CC=CC(=C2)OC
InChI
InChI=1S/C16H18FNOS/c1-18(2)11-12-7-8-13(17)9-16(12)20-15-6-4-5-14(10-15)19-3/h4-10H,11H2,1-3H3
InChIKey
HOSYRTYWYXLXLH-UHFFFAOYSA-N
Compound name
1-[4-fluoro-2-(3-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.1093 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.11658 164.8
[M+Na]+ 314.09852 172.7
[M-H]- 290.10202 171.8
[M+NH4]+ 309.14312 181.6
[M+K]+ 330.07246 168.8
[M+H-H2O]+ 274.10656 155.9
[M+HCOO]- 336.10750 183.9
[M+CH3COO]- 350.12315 208.0
[M+Na-2H]- 312.08397 165.8
[M]+ 291.10875 168.8
[M]- 291.10985 168.8
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.