CID 21334376

5-chloro-10,13-dioxa-4,6-diazatricyclo[7.4.0.0,3,7]trideca-1(9),2,4,7-tetraene

Structural Information

Molecular Formula
C9H7ClN2O2
SMILES
C1COC2=C(O1)C=C3C(=C2)N=C(N3)Cl
InChI
InChI=1S/C9H7ClN2O2/c10-9-11-5-3-7-8(4-6(5)12-9)14-2-1-13-7/h3-4H,1-2H2,(H,11,12)
InChIKey
LSZUWOCBOHNBNK-UHFFFAOYSA-N
Compound name
2-chloro-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

210.0196 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.02688 138.9
[M+Na]+ 233.00882 150.4
[M-H]- 209.01232 141.8
[M+NH4]+ 228.05342 156.7
[M+K]+ 248.98276 147.5
[M+H-H2O]+ 193.01686 132.7
[M+HCOO]- 255.01780 152.1
[M+CH3COO]- 269.03345 152.3
[M+Na-2H]- 230.99427 148.0
[M]+ 210.01905 141.7
[M]- 210.02015 141.7
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

patents stripe