CID 110229

68413-87-6

Structural Information

Molecular Formula
C16H15ClNOSSe
SMILES
CC[N+]1=C([Se]C2=C1C=C(C=C2)OC)C=C(C3=CC=CS3)Cl
InChI
InChI=1S/C16H15ClNOSSe/c1-3-18-13-9-11(19-2)6-7-15(13)21-16(18)10-12(17)14-5-4-8-20-14/h4-10H,3H2,1-2H3/q+1
InChIKey
LSGYNUYUAVCUQE-UHFFFAOYSA-N
Compound name
2-(2-chloro-2-thiophen-2-ylethenyl)-3-ethyl-5-methoxy-1,3-benzoselenazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.9728 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.98008 179.1
[M+Na]+ 406.96202 195.3
[M+NH4]+ 402.00662 189.6
[M+K]+ 422.93596 187.9
[M-H]- 382.96552 184.8
[M+Na-2H]- 404.94747 186.1
[M]+ 383.97225 184.3
[M]- 383.97335 184.3
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.