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 188.7
[M+Na]+ 406.96202 199.4
[M-H]- 382.96552 196.0
[M+NH4]+ 402.00662 207.5
[M+K]+ 422.93596 187.3
[M+H-H2O]+ 366.97006 184.9
[M+HCOO]- 428.97100 202.3
[M+CH3COO]- 442.98665 198.7
[M+Na-2H]- 404.94747 187.9
[M]+ 383.97225 195.4
[M]- 383.97335 195.4
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.