CID 334170

Nsc338552

Structural Information

Molecular Formula
C15H10ClNO3
SMILES
CC(=O)NC1=CC2=C(C=C1)OC3=C(C2=O)C=C(C=C3)Cl
InChI
InChI=1S/C15H10ClNO3/c1-8(18)17-10-3-5-14-12(7-10)15(19)11-6-9(16)2-4-13(11)20-14/h2-7H,1H3,(H,17,18)
InChIKey
JCAIEYDHJZVMNK-UHFFFAOYSA-N
Compound name
N-(7-chloro-9-oxoxanthen-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.0349 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.04218 159.1
[M+Na]+ 310.02412 171.6
[M-H]- 286.02762 166.4
[M+NH4]+ 305.06872 176.8
[M+K]+ 325.99806 167.2
[M+H-H2O]+ 270.03216 152.9
[M+HCOO]- 332.03310 178.2
[M+CH3COO]- 346.04875 172.9
[M+Na-2H]- 308.00957 168.0
[M]+ 287.03435 166.1
[M]- 287.03545 166.1
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

No patent data available for this compound.