CID 135713886

C.i. solvent blue 53

Structural Information

Molecular Formula
C16H10ClN3O4
SMILES
C1=CC2=C(C=CC(=C2O)N=NC3=C(C=C(C=C3)[N+](=O)[O-])O)C(=C1)Cl
InChI
InChI=1S/C16H10ClN3O4/c17-12-3-1-2-11-10(12)5-7-14(16(11)22)19-18-13-6-4-9(20(23)24)8-15(13)21/h1-8,21-22H
InChIKey
MCXYTRKXVVBIEW-UHFFFAOYSA-N
Compound name
5-chloro-2-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.03598 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.043256 173.4
[M+Na]+ 366.025198 181.5
[M-H]- 342.028704 181.4
[M+NH4]+ 361.069803 187.0
[M+K]+ 381.999138 172.6
[M+H-H2O]+ 326.033240 170.2
[M+HCOO]- 388.034181 195.5
[M+CH3COO]- 402.049831 209.2
[M+Na-2H]- 364.010646 181.6
[M]+ 343.03543142 175.7
[M]- 343.03652858 175.7
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

No patent data available for this compound.