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

23
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

literature stripe

Patent stripe

patents stripe