CID 356997

Nsc614566

Structural Information

Molecular Formula
C16H12ClNO5
SMILES
CC1=C(C(=O)OC2=C(C3=C(C=C12)C(=O)C=CO3)C)NC(=O)CCl
InChI
InChI=1S/C16H12ClNO5/c1-7-9-5-10-11(19)3-4-22-14(10)8(2)15(9)23-16(21)13(7)18-12(20)6-17/h3-5H,6H2,1-2H3,(H,18,20)
InChIKey
RIMSJNVASQUWBB-UHFFFAOYSA-N
Compound name
2-chloro-N-(4,10-dimethyl-2,6-dioxopyrano[3,2-g]chromen-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.0404 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.04768 171.4
[M+Na]+ 356.02962 185.2
[M-H]- 332.03312 180.1
[M+NH4]+ 351.07422 186.3
[M+K]+ 372.00356 182.6
[M+H-H2O]+ 316.03766 164.9
[M+HCOO]- 378.03860 189.5
[M+CH3COO]- 392.05425 212.6
[M+Na-2H]- 354.01507 179.0
[M]+ 333.03985 182.4
[M]- 333.04095 182.4
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.