CID 105357

66304-05-0

Structural Information

Molecular Formula
C14H10N2O6
SMILES
C1=CC(=C2C(=C1NO)C(=C3C(=CC=C(C3=C2O)N=O)O)O)O
InChI
InChI=1S/C14H10N2O6/c17-7-3-1-5(15-21)9-11(7)14(20)10-6(16-22)2-4-8(18)12(10)13(9)19/h1-4,15,17-21H
InChIKey
YERFXVUXKUWRAC-UHFFFAOYSA-N
Compound name
4-(hydroxyamino)-8-nitrosoanthracene-1,5,9,10-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.0539 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.06118 159.9
[M+Na]+ 325.04312 170.9
[M-H]- 301.04662 162.3
[M+NH4]+ 320.08772 174.6
[M+K]+ 341.01706 167.2
[M+H-H2O]+ 285.05116 153.5
[M+HCOO]- 347.05210 180.7
[M+CH3COO]- 361.06775 204.4
[M+Na-2H]- 323.02857 167.5
[M]+ 302.05335 162.8
[M]- 302.05445 162.8
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.