CID 9926593

Ec 425-370-4

Structural Information

Molecular Formula
C20H18FNO
SMILES
CC(C)N1C2=CC=CC=C2C(=C1/C=C/C=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H18FNO/c1-14(2)22-18-7-4-3-6-17(18)20(19(22)8-5-13-23)15-9-11-16(21)12-10-15/h3-14H,1-2H3/b8-5+
InChIKey
DVWHSTKQJBIYCK-VMPITWQZSA-N
Compound name
(E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

307.13724 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.14452 172.6
[M+Na]+ 330.12646 183.0
[M-H]- 306.12996 178.4
[M+NH4]+ 325.17106 189.4
[M+K]+ 346.10040 176.1
[M+H-H2O]+ 290.13450 163.6
[M+HCOO]- 352.13544 194.1
[M+CH3COO]- 366.15109 207.7
[M+Na-2H]- 328.11191 173.9
[M]+ 307.13669 175.0
[M]- 307.13779 175.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe