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

22
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

literature stripe

Patent stripe

patents stripe