CID 377607

Nsc659184

Structural Information

Molecular Formula
C11H9Cl3N2O
SMILES
C1=CC=C2C(=C1)C(=CN=N2)CC(C(Cl)(Cl)Cl)O
InChI
InChI=1S/C11H9Cl3N2O/c12-11(13,14)10(17)5-7-6-15-16-9-4-2-1-3-8(7)9/h1-4,6,10,17H,5H2
InChIKey
FHUOVMQVBLKKFO-UHFFFAOYSA-N
Compound name
1,1,1-trichloro-3-cinnolin-4-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.97806 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.98534 155.8
[M+Na]+ 312.96728 165.3
[M-H]- 288.97078 154.5
[M+NH4]+ 308.01188 170.5
[M+K]+ 328.94122 158.9
[M+H-H2O]+ 272.97532 150.1
[M+HCOO]- 334.97626 157.9
[M+CH3COO]- 348.99191 194.9
[M+Na-2H]- 310.95273 162.3
[M]+ 289.97751 158.1
[M]- 289.97861 158.1
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.