CID 102311959

3-((4-chlorophenyl)selanyl)-1-methyl-1h-indole

Structural Information

Molecular Formula
C15H12ClNSe
SMILES
CN1C=C(C2=CC=CC=C21)[Se]C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H12ClNSe/c1-17-10-15(13-4-2-3-5-14(13)17)18-12-8-6-11(16)7-9-12/h2-10H,1H3
InChIKey
QDNQVTLDUDGOCN-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)selanyl-1-methylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1
Patents

320.98236 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.98964 168.8
[M+Na]+ 343.97158 180.2
[M-H]- 319.97508 175.2
[M+NH4]+ 339.01618 188.0
[M+K]+ 359.94552 172.7
[M+H-H2O]+ 303.97962 160.9
[M+HCOO]- 365.98056 187.8
[M+CH3COO]- 379.99621 181.5
[M+Na-2H]- 341.95703 172.9
[M]+ 320.98181 173.3
[M]- 320.98291 173.3
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