CID 96824

1123-91-7

Structural Information

Molecular Formula
C7H6N2Se
SMILES
CC1=CC2=N[Se]N=C2C=C1
InChI
InChI=1S/C7H6N2Se/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3
InChIKey
IZEMMCAMXBKLDP-UHFFFAOYSA-N
Compound name
5-methyl-2,1,3-benzoselenadiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

197.96962 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.97690 134.9
[M+Na]+ 220.95884 145.8
[M-H]- 196.96234 137.1
[M+NH4]+ 216.00344 156.8
[M+K]+ 236.93278 142.8
[M+H-H2O]+ 180.96688 127.6
[M+HCOO]- 242.96782 158.7
[M+CH3COO]- 256.98347 149.3
[M+Na-2H]- 218.94429 143.3
[M]+ 197.96907 136.9
[M]- 197.97017 136.9
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