CID 13992

1058-92-0

Structural Information

Molecular Formula
C16H11ClN2O9S2
SMILES
C1=CC(=C(C=C1Cl)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)O)O)O
InChI
InChI=1S/C16H11ClN2O9S2/c17-8-1-2-11(20)10(5-8)18-19-15-13(30(26,27)28)4-7-3-9(29(23,24)25)6-12(21)14(7)16(15)22/h1-6,20-22H,(H,23,24,25)(H,26,27,28)
InChIKey
KBLPVLOHGYMDQP-UHFFFAOYSA-N
Compound name
3-[(5-chloro-2-hydroxyphenyl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

487
Patents

473.95944 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.96672 200.9
[M+Na]+ 496.94866 210.5
[M+NH4]+ 491.99326 203.9
[M+K]+ 512.92260 205.0
[M-H]- 472.95216 200.7
[M+Na-2H]- 494.93411 204.5
[M]+ 473.95889 203.1
[M]- 473.95999 203.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe