CID 169466

Einecs 251-187-2

Structural Information

Molecular Formula
C14H12N6O8
SMILES
C1=CC(=CC(=C1)C(=O)OCCOC(=O)N=[N+]=[N-])C(=O)OCCOC(=O)N=[N+]=[N-]
InChI
InChI=1S/C14H12N6O8/c15-19-17-13(23)27-6-4-25-11(21)9-2-1-3-10(8-9)12(22)26-5-7-28-14(24)18-20-16/h1-3,8H,4-7H2
InChIKey
IXCZLTALPWNWDM-UHFFFAOYSA-N
Compound name
bis(2-carbonazidoyloxyethyl) benzene-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

392.07166 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.078936 218.7
[M+Na]+ 415.060878 237.0
[M-H]- 391.064384 232.9
[M+NH4]+ 410.105483 233.3
[M+K]+ 431.034818 224.2
[M+H-H2O]+ 375.068920 208.0
[M+HCOO]- 437.069861 237.1
[M+CH3COO]- 451.085511 218.4
[M+Na-2H]- 413.046326 215.0
[M]+ 392.07111142 207.1
[M]- 392.07220858 207.1
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