CID 76837

3321-49-1

Structural Information

Molecular Formula
C16H10ClN5O4
SMILES
C1=CC=C2C(=C1)C(=CC=C2N=NC3=C(C=C(C=C3Cl)[N+](=O)[O-])[N+](=O)[O-])N
InChI
InChI=1S/C16H10ClN5O4/c17-12-7-9(21(23)24)8-15(22(25)26)16(12)20-19-14-6-5-13(18)10-3-1-2-4-11(10)14/h1-8H,18H2
InChIKey
HTTZEKZZLKWRNB-UHFFFAOYSA-N
Compound name
4-[(2-chloro-4,6-dinitrophenyl)diazenyl]naphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.04214 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.04942 182.5
[M+Na]+ 394.03136 187.6
[M-H]- 370.03486 191.2
[M+NH4]+ 389.07596 193.7
[M+K]+ 410.00530 175.7
[M+H-H2O]+ 354.03940 182.3
[M+HCOO]- 416.04034 206.9
[M+CH3COO]- 430.05599 215.8
[M+Na-2H]- 392.01681 191.6
[M]+ 371.04159 182.0
[M]- 371.04269 182.0
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