CID 494214

3-chloro-2-phenyl-1,2lambda(5)-benzoselenazole

Structural Information

Molecular Formula
C13H9ClNSe
SMILES
C1=CC=C(C=C1)[N+]2=C(C3=CC=CC=C3[Se]2)Cl
InChI
InChI=1S/C13H9ClNSe/c14-13-11-8-4-5-9-12(11)16-15(13)10-6-2-1-3-7-10/h1-9H/q+1
InChIKey
QRAVMXHYIDDYPF-UHFFFAOYSA-N
Compound name
3-chloro-2-phenyl-1,2-benzoselenazol-2-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.95886 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.96614 162.3
[M+Na]+ 316.94808 173.2
[M-H]- 292.95158 168.8
[M+NH4]+ 311.99268 181.9
[M+K]+ 332.92202 161.0
[M+H-H2O]+ 276.95612 157.3
[M+HCOO]- 338.95706 181.6
[M+CH3COO]- 352.97271 184.0
[M+Na-2H]- 314.93353 170.2
[M]+ 293.95831 164.5
[M]- 293.95941 164.5
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.