CID 98558

Nsc-147927

Structural Information

Molecular Formula
C15H10Cl2N2O2
SMILES
C1C(=CC2=C(O1)C(=CC(=C2)Cl)Cl)C(=O)N3C=CC=CC3=N
InChI
InChI=1S/C15H10Cl2N2O2/c16-11-6-9-5-10(8-21-14(9)12(17)7-11)15(20)19-4-2-1-3-13(19)18/h1-7,18H,8H2
InChIKey
RVDYVUOTQGMQDA-UHFFFAOYSA-N
Compound name
(6,8-dichloro-2H-chromen-3-yl)-(2-iminopyridin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.01193 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.01921 168.6
[M+Na]+ 343.00115 179.4
[M-H]- 319.00465 175.2
[M+NH4]+ 338.04575 182.5
[M+K]+ 358.97509 173.5
[M+H-H2O]+ 303.00919 161.4
[M+HCOO]- 365.01013 179.7
[M+CH3COO]- 379.02578 180.1
[M+Na-2H]- 340.98660 173.8
[M]+ 320.01138 171.8
[M]- 320.01248 171.8
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.