CID 407699

Fast sulphon black f

Structural Information

Molecular Formula
C30H20N4O11S3
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C(=C4O)N=NC5=CC=C(C6=CC=CC=C65)S(=O)(=O)O)S(=O)(=O)O)O
InChI
InChI=1S/C30H20N4O11S3/c35-24-11-9-16-5-1-2-6-19(16)28(24)33-32-23-15-18(46(37,38)39)13-17-14-26(48(43,44)45)29(30(36)27(17)23)34-31-22-10-12-25(47(40,41)42)21-8-4-3-7-20(21)22/h1-15,35-36H,(H,37,38,39)(H,40,41,42)(H,43,44,45)
InChIKey
WQWKYALNLSYERE-UHFFFAOYSA-N
Compound name
4-hydroxy-5-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

708.02905 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 709.03633 242.0
[M+Na]+ 731.01827 248.6
[M+NH4]+ 726.06287 245.8
[M+K]+ 746.99221 247.1
[M-H]- 707.02177 240.4
[M+Na-2H]- 729.00372 265.2
[M]+ 708.02850 244.1
[M]- 708.02960 244.1
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