CID 43958

Fluomine

Structural Information

Molecular Formula
C16H14F2N2O2
SMILES
C1=CC(=C(C(=C1)F)C=NCCN=CC2=C(C=CC=C2F)O)O
InChI
InChI=1S/C16H14F2N2O2/c17-13-3-1-5-15(21)11(13)9-19-7-8-20-10-12-14(18)4-2-6-16(12)22/h1-6,9-10,21-22H,7-8H2
InChIKey
SDZOMCAJWGPLAU-UHFFFAOYSA-N
Compound name
3-fluoro-2-[2-[(2-fluoro-6-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

2
References

0
Patents

304.10233 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.10961 167.1
[M+Na]+ 327.09155 175.5
[M-H]- 303.09505 171.7
[M+NH4]+ 322.13615 181.8
[M+K]+ 343.06549 170.1
[M+H-H2O]+ 287.09959 157.1
[M+HCOO]- 349.10053 191.5
[M+CH3COO]- 363.11618 209.2
[M+Na-2H]- 325.07700 170.7
[M]+ 304.10178 166.1
[M]- 304.10288 166.1
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.