CID 96655

5,6-dimethyl-2,1,3-benzoselenadiazole

Structural Information

Molecular Formula
C8H8N2Se
SMILES
CC1=CC2=N[Se]N=C2C=C1C
InChI
InChI=1S/C8H8N2Se/c1-5-3-7-8(4-6(5)2)10-11-9-7/h3-4H,1-2H3
InChIKey
JXAGKGMQYSONPB-UHFFFAOYSA-N
Compound name
5,6-dimethyl-2,1,3-benzoselenadiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

211.98528 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.99256 139.5
[M+Na]+ 234.97450 150.9
[M-H]- 210.97800 141.9
[M+NH4]+ 230.01910 161.3
[M+K]+ 250.94844 147.6
[M+H-H2O]+ 194.98254 132.3
[M+HCOO]- 256.98348 163.0
[M+CH3COO]- 270.99913 153.8
[M+Na-2H]- 232.95995 146.6
[M]+ 211.98473 142.3
[M]- 211.98583 142.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe