CID 4348876

P-tolyl selenide

Structural Information

Molecular Formula
C14H14Se
SMILES
CC1=CC=C(C=C1)[Se]C2=CC=C(C=C2)C
InChI
InChI=1S/C14H14Se/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKey
OAJSCXNYCHQGTF-UHFFFAOYSA-N
Compound name
1-methyl-4-(4-methylphenyl)selanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

262.02606 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.03334 155.2
[M+Na]+ 285.01528 162.9
[M-H]- 261.01878 161.7
[M+NH4]+ 280.05988 174.2
[M+K]+ 300.98922 158.5
[M+H-H2O]+ 245.02332 147.7
[M+HCOO]- 307.02426 178.6
[M+CH3COO]- 321.03991 189.7
[M+Na-2H]- 283.00073 160.2
[M]+ 262.02551 155.4
[M]- 262.02661 155.4
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.