CID 11141388

1-methoxy-4-(4-methoxybenzeneseleninyl)benzene

Structural Information

Molecular Formula
C14H14O3Se
SMILES
COC1=CC=C(C=C1)[Se](=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C14H14O3Se/c1-16-11-3-7-13(8-4-11)18(15)14-9-5-12(17-2)6-10-14/h3-10H,1-2H3
InChIKey
SXEWETDJNQVWQY-UHFFFAOYSA-N
Compound name
1-methoxy-4-(4-methoxyphenyl)seleninylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

310.01083 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.01811 165.2
[M+Na]+ 333.00005 172.6
[M-H]- 309.00355 171.7
[M+NH4]+ 328.04465 181.9
[M+K]+ 348.97399 169.8
[M+H-H2O]+ 293.00809 157.0
[M+HCOO]- 355.00903 188.4
[M+CH3COO]- 369.02468 195.8
[M+Na-2H]- 330.98550 168.8
[M]+ 310.01028 168.3
[M]- 310.01138 168.3
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