CID 3077642

N,n-dimethyl-5-fluoro-2-(3-hydroxyphenylthio)benzylamine maleate

Structural Information

Molecular Formula
C15H16FNOS
SMILES
CN(C)CC1=C(C=CC(=C1)F)SC2=CC=CC(=C2)O
InChI
InChI=1S/C15H16FNOS/c1-17(2)10-11-8-12(16)6-7-15(11)19-14-5-3-4-13(18)9-14/h3-9,18H,10H2,1-2H3
InChIKey
KRUMOSOJYOFJKX-UHFFFAOYSA-N
Compound name
3-[2-[(dimethylamino)methyl]-4-fluorophenyl]sulfanylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.09366 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.10094 160.1
[M+Na]+ 300.08288 168.1
[M-H]- 276.08638 166.0
[M+NH4]+ 295.12748 176.8
[M+K]+ 316.05682 163.5
[M+H-H2O]+ 260.09092 151.8
[M+HCOO]- 322.09186 178.1
[M+CH3COO]- 336.10751 202.5
[M+Na-2H]- 298.06833 161.4
[M]+ 277.09311 162.0
[M]- 277.09421 162.0
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.