CID 736229

93957-49-4

Structural Information

Molecular Formula
C17H16FN
SMILES
CC(C)N1C=C(C2=CC=CC=C21)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H16FN/c1-12(2)19-11-16(13-7-9-14(18)10-8-13)15-5-3-4-6-17(15)19/h3-12H,1-2H3
InChIKey
ZDZJOIIBECYKAJ-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-1-propan-2-ylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

253.12668 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.13396 156.9
[M+Na]+ 276.11590 167.3
[M-H]- 252.11940 162.8
[M+NH4]+ 271.16050 175.9
[M+K]+ 292.08984 161.7
[M+H-H2O]+ 236.12394 148.4
[M+HCOO]- 298.12488 179.0
[M+CH3COO]- 312.14053 170.0
[M+Na-2H]- 274.10135 160.7
[M]+ 253.12613 158.1
[M]- 253.12723 158.1
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