CID 6449004

159831-78-4

Structural Information

Molecular Formula
C18H11ClFN3O2
SMILES
C1=CC=C(C=C1)/C=C/C=NC2=C(N=NC3=CC(=C(C=C32)F)Cl)C(=O)O
InChI
InChI=1S/C18H11ClFN3O2/c19-13-10-15-12(9-14(13)20)16(17(18(24)25)23-22-15)21-8-4-7-11-5-2-1-3-6-11/h1-10H,(H,24,25)/b7-4+,21-8?
InChIKey
UVECIJBGCJVYQS-XBWBJOPRSA-N
Compound name
7-chloro-6-fluoro-4-[[(E)-3-phenylprop-2-enylidene]amino]cinnoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.05237 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.05965 179.7
[M+Na]+ 378.04159 190.1
[M-H]- 354.04509 183.5
[M+NH4]+ 373.08619 191.4
[M+K]+ 394.01553 182.0
[M+H-H2O]+ 338.04963 169.4
[M+HCOO]- 400.05057 195.0
[M+CH3COO]- 414.06622 214.2
[M+Na-2H]- 376.02704 184.2
[M]+ 355.05182 182.0
[M]- 355.05292 182.0
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.