CID 21351032

2odfct

Structural Information

Molecular Formula
C21H15F2NO
SMILES
CCOC1=C(C=C(C=C1)C2=C(C=C(C=C2)C3=CC=C(C=C3)C#N)F)F
InChI
InChI=1S/C21H15F2NO/c1-2-25-21-10-8-17(12-20(21)23)18-9-7-16(11-19(18)22)15-5-3-14(13-24)4-6-15/h3-12H,2H2,1H3
InChIKey
HLSVPXJEGBEVHU-UHFFFAOYSA-N
Compound name
4-[4-(4-ethoxy-3-fluorophenyl)-3-fluorophenyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

335.11218 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.11946 179.7
[M+Na]+ 358.10140 191.6
[M-H]- 334.10490 185.2
[M+NH4]+ 353.14600 191.8
[M+K]+ 374.07534 182.7
[M+H-H2O]+ 318.10944 162.8
[M+HCOO]- 380.11038 197.3
[M+CH3COO]- 394.12603 189.2
[M+Na-2H]- 356.08685 180.6
[M]+ 335.11163 174.1
[M]- 335.11273 174.1
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

patents stripe