CID 136082

Benzo[b]selenophene

Structural Information

Molecular Formula
C8H6Se
SMILES
C1=CC=C2C(=C1)C=C[Se]2
InChI
InChI=1S/C8H6Se/c1-2-4-8-7(3-1)5-6-9-8/h1-6H
InChIKey
BNRDGHFESOHOBF-UHFFFAOYSA-N
Compound name
1-benzoselenophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8618
Patents

181.96347 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.97075 130.7
[M+Na]+ 204.95269 140.2
[M-H]- 180.95619 135.4
[M+NH4]+ 199.99729 155.7
[M+K]+ 220.92663 137.2
[M+H-H2O]+ 164.96073 125.1
[M+HCOO]- 226.96167 156.8
[M+CH3COO]- 240.97732 145.8
[M+Na-2H]- 202.93814 139.4
[M]+ 181.96292 131.6
[M]- 181.96402 131.6
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