CID 116230

Sulfonium, methyldibenzyl-, nitrate

Structural Information

Molecular Formula
C15H17S
SMILES
C[S+](CC1=CC=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C15H17S/c1-16(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3/q+1
InChIKey
ZXGSJCDPPHGUJN-UHFFFAOYSA-N
Compound name
dibenzyl(methyl)sulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

229.1051 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.11238 152.1
[M+Na]+ 252.09432 158.3
[M-H]- 228.09782 158.8
[M+NH4]+ 247.13892 170.1
[M+K]+ 268.06826 148.5
[M+H-H2O]+ 212.10236 147.7
[M+HCOO]- 274.10330 169.8
[M+CH3COO]- 288.11895 183.5
[M+Na-2H]- 250.07977 157.3
[M]+ 229.10455 151.8
[M]- 229.10565 151.8
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

patents stripe