CID 57376712

287922-15-0

Structural Information

Molecular Formula
C21H14F4N4O2
SMILES
C1=CC(=CC=C1C(=C2C(=C(C(=C(C#N)C#N)C(=C2F)F)F)F)C#N)N(CCO)CCO
InChI
InChI=1S/C21H14F4N4O2/c22-18-16(13(9-26)10-27)19(23)21(25)17(20(18)24)15(11-28)12-1-3-14(4-2-12)29(5-7-30)6-8-31/h1-4,30-31H,5-8H2
InChIKey
JUARBIKBZRCWNI-UHFFFAOYSA-N
Compound name
2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]-cyanomethylidene]-2,3,5,6-tetrafluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.1053 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.11258 187.7
[M+Na]+ 453.09452 194.4
[M-H]- 429.09802 188.7
[M+NH4]+ 448.13912 190.8
[M+K]+ 469.06846 190.0
[M+H-H2O]+ 413.10256 172.8
[M+HCOO]- 475.10350 190.0
[M+CH3COO]- 489.11915 251.3
[M+Na-2H]- 451.07997 181.9
[M]+ 430.10475 177.5
[M]- 430.10585 177.5
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.