CID 348937

4-methyldibenzoselenophene

Structural Information

Molecular Formula
C13H10Se
SMILES
CC1=C2C(=CC=C1)C3=CC=CC=C3[Se]2
InChI
InChI=1S/C13H10Se/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11/h2-8H,1H3
InChIKey
KKJDXZBTCJSQJT-UHFFFAOYSA-N
Compound name
4-methyldibenzoselenophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

245.99477 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.00205 148.1
[M+Na]+ 268.98399 158.8
[M-H]- 244.98749 154.0
[M+NH4]+ 264.02859 172.0
[M+K]+ 284.95793 153.6
[M+H-H2O]+ 228.99203 142.0
[M+HCOO]- 290.99297 172.4
[M+CH3COO]- 305.00862 162.4
[M+Na-2H]- 266.96944 155.5
[M]+ 245.99422 150.3
[M]- 245.99532 150.3
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