CID 174909

Einecs 276-351-0

Structural Information

Molecular Formula
C17H10Cl2N2O3
SMILES
C1=CC=C2C(=C1)C=C(C(=C2N=NC3=C(C(=CC=C3)Cl)Cl)O)C(=O)O
InChI
InChI=1S/C17H10Cl2N2O3/c18-12-6-3-7-13(14(12)19)20-21-15-10-5-2-1-4-9(10)8-11(16(15)22)17(23)24/h1-8,22H,(H,23,24)
InChIKey
BNMBORNABWCVGL-UHFFFAOYSA-N
Compound name
4-[(2,3-dichlorophenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

360.00684 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.01412 177.2
[M+Na]+ 382.99606 188.0
[M-H]- 358.99956 185.0
[M+NH4]+ 378.04066 192.1
[M+K]+ 398.97000 181.6
[M+H-H2O]+ 343.00410 170.8
[M+HCOO]- 405.00504 192.8
[M+CH3COO]- 419.02069 217.4
[M+Na-2H]- 380.98151 181.8
[M]+ 360.00629 183.0
[M]- 360.00739 183.0
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

No patent data available for this compound.