CID 412541

Bis[[(e)-(8-hydroxy-1-oxo-3,6-disulfo-2-naphthylidene)amino]oxy]copper

Structural Information

Molecular Formula
C10H7NO9S2
SMILES
C1=C2C=C(C(=C(C2=C(C=C1S(=O)(=O)O)O)O)N=O)S(=O)(=O)O
InChI
InChI=1S/C10H7NO9S2/c12-6-3-5(21(15,16)17)1-4-2-7(22(18,19)20)9(11-14)10(13)8(4)6/h1-3,12-13H,(H,15,16,17)(H,18,19,20)
InChIKey
ZZMSOJNZJNSCEN-UHFFFAOYSA-N
Compound name
4,5-dihydroxy-3-nitrosonaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

348.95624 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.96352 166.8
[M+Na]+ 371.94546 175.2
[M-H]- 347.94896 167.1
[M+NH4]+ 366.99006 178.3
[M+K]+ 387.91940 171.0
[M+H-H2O]+ 331.95350 161.4
[M+HCOO]- 393.95444 175.3
[M+CH3COO]- 407.97009 202.0
[M+Na-2H]- 369.93091 174.1
[M]+ 348.95569 172.5
[M]- 348.95679 172.5
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