CID 3074584

159831-79-5

Structural Information

Molecular Formula
C16H9ClFN3O3
SMILES
C1=CC(=CC=C1C=NC2=C(N=NC3=CC(=C(C=C32)F)Cl)C(=O)O)O
InChI
InChI=1S/C16H9ClFN3O3/c17-11-6-13-10(5-12(11)18)14(15(16(23)24)21-20-13)19-7-8-1-3-9(22)4-2-8/h1-7,22H,(H,23,24)
InChIKey
RLVLMBJONBLFCR-UHFFFAOYSA-N
Compound name
7-chloro-6-fluoro-4-[(4-hydroxyphenyl)methylideneamino]cinnoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

345.03165 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.03893 174.2
[M+Na]+ 368.02087 185.4
[M-H]- 344.02437 177.4
[M+NH4]+ 363.06547 185.9
[M+K]+ 383.99481 178.4
[M+H-H2O]+ 328.02891 164.7
[M+HCOO]- 390.02985 188.7
[M+CH3COO]- 404.04550 210.9
[M+Na-2H]- 366.00632 178.8
[M]+ 345.03110 176.7
[M]- 345.03220 176.7
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

patents stripe