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

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 218.7
[M+Na]+ 415.06088 237.0
[M-H]- 391.06438 232.9
[M+NH4]+ 410.10548 233.3
[M+K]+ 431.03482 224.2
[M+H-H2O]+ 375.06892 208.0
[M+HCOO]- 437.06986 237.1
[M+CH3COO]- 451.08551 218.4
[M+Na-2H]- 413.04633 215.0
[M]+ 392.07111 207.1
[M]- 392.07221 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