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
2
Annotation Hits

0
References

94
Patents

229.1051 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.112376 152.1
[M+Na]+ 252.094318 158.3
[M-H]- 228.097824 158.8
[M+NH4]+ 247.138923 170.1
[M+K]+ 268.068258 148.5
[M+H-H2O]+ 212.102360 147.7
[M+HCOO]- 274.103301 169.8
[M+CH3COO]- 288.118951 183.5
[M+Na-2H]- 250.079766 157.3
[M]+ 229.10455142 151.8
[M]- 229.10564858 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