CID 17748

Quinoclamine

Structural Information

Molecular Formula
C10H6ClNO2
SMILES
C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)N
InChI
InChI=1S/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2
InChIKey
OBLNWSCLAYSJJR-UHFFFAOYSA-N
Compound name
2-amino-3-chloronaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

13
References

20636
Patents

207.00871 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.01599 138.3
[M+Na]+ 229.99793 149.9
[M-H]- 206.00143 143.3
[M+NH4]+ 225.04253 159.4
[M+K]+ 245.97187 144.9
[M+H-H2O]+ 190.00597 133.9
[M+HCOO]- 252.00691 157.7
[M+CH3COO]- 266.02256 187.2
[M+Na-2H]- 227.98338 144.3
[M]+ 207.00816 139.4
[M]- 207.00926 139.4
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.