CID 3248656

9-anthracenylmethyl methyl sulfide

Structural Information

Molecular Formula
C16H14S
SMILES
CSCC1=C2C=CC=CC2=CC3=CC=CC=C31
InChI
InChI=1S/C16H14S/c1-17-11-16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-10H,11H2,1H3
InChIKey
RDAUVXVQAOJOSH-UHFFFAOYSA-N
Compound name
9-(methylsulfanylmethyl)anthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

238.08162 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.08890 148.7
[M+Na]+ 261.07084 159.4
[M-H]- 237.07434 154.8
[M+NH4]+ 256.11544 169.7
[M+K]+ 277.04478 153.4
[M+H-H2O]+ 221.07888 142.4
[M+HCOO]- 283.07982 167.2
[M+CH3COO]- 297.09547 162.3
[M+Na-2H]- 259.05629 156.5
[M]+ 238.08107 153.2
[M]- 238.08217 153.2
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.