CID 6435336

Brn 5967683

Structural Information

Molecular Formula
C16H10ClN2OSe
SMILES
C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CC=C3Cl)/N=C2[Se]
InChI
InChI=1S/C16H10ClN2OSe/c17-13-9-5-4-6-11(13)10-14-15(20)19(16(21)18-14)12-7-2-1-3-8-12/h1-10H/b14-10-
InChIKey
OSZVLCRWGUNPLI-UVTDQMKNSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.9647 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.97198 180.0
[M+Na]+ 383.95392 190.1
[M-H]- 359.95742 186.9
[M+NH4]+ 378.99852 194.6
[M+K]+ 399.92786 182.2
[M+H-H2O]+ 343.96196 170.1
[M+HCOO]- 405.96290 196.5
[M+CH3COO]- 419.97855 191.0
[M+Na-2H]- 381.93937 180.1
[M]+ 360.96415 181.4
[M]- 360.96525 181.4
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.