CID 494213

C4p9grf7el

Structural Information

Molecular Formula
C14H11ClNSe
SMILES
C1=CC=C(C=C1)C[N+]2=C(C3=CC=CC=C3[Se]2)Cl
InChI
InChI=1S/C14H11ClNSe/c15-14-12-8-4-5-9-13(12)17-16(14)10-11-6-2-1-3-7-11/h1-9H,10H2/q+1
InChIKey
AFZSZZYLFTXTDK-UHFFFAOYSA-N
Compound name
2-benzyl-3-chloro-1,2-benzoselenazol-2-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.97452 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.98180 167.2
[M+Na]+ 330.96374 177.6
[M-H]- 306.96724 173.5
[M+NH4]+ 326.00834 186.2
[M+K]+ 346.93768 165.2
[M+H-H2O]+ 290.97178 161.9
[M+HCOO]- 352.97272 186.1
[M+CH3COO]- 366.98837 187.0
[M+Na-2H]- 328.94919 174.5
[M]+ 307.97397 169.7
[M]- 307.97507 169.7
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.