CID 169466

32741-83-6

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

1
Patents

392.07166 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.07894 192.9
[M+Na]+ 415.06088 198.9
[M+NH4]+ 410.10548 201.7
[M+K]+ 431.03482 208.8
[M-H]- 391.06438 189.5
[M+Na-2H]- 413.04633 189.1
[M]+ 392.07111 195.2
[M]- 392.07221 195.2
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