CID 495064

Nsc643004

Structural Information

Molecular Formula
C16H14Se2
SMILES
CC12C3=CC=CC=C3[Se]C1(C4=CC=CC=C4[Se]2)C
InChI
InChI=1S/C16H14Se2/c1-15-11-7-3-5-9-13(11)18-16(15,2)12-8-4-6-10-14(12)17-15/h3-10H,1-2H3
InChIKey
PUEJUYUFIJNYRH-UHFFFAOYSA-N
Compound name
4b,9b-dimethyl-[1]benzoselenolo[3,2-b][1]benzoselenole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.9426 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.94988 179.2
[M+Na]+ 388.93182 189.0
[M-H]- 364.93532 185.2
[M+NH4]+ 383.97642 206.6
[M+K]+ 404.90576 181.9
[M+H-H2O]+ 348.93986 172.0
[M+HCOO]- 410.94080 199.0
[M+CH3COO]- 424.95645 191.1
[M+Na-2H]- 386.91727 182.4
[M]+ 365.94205 179.7
[M]- 365.94315 179.7
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.