CID 146050142

[2-fluoro-4-(4-fluoro-1h-indole-1-carbonyl)-5-methoxyphenyl]methanol

Structural Information

Molecular Formula
C17H13F2NO3
SMILES
COC1=C(C=C(C(=C1)CO)F)C(=O)N2C=CC3=C2C=CC=C3F
InChI
InChI=1S/C17H13F2NO3/c1-23-16-7-10(9-21)14(19)8-12(16)17(22)20-6-5-11-13(18)3-2-4-15(11)20/h2-8,21H,9H2,1H3
InChIKey
SCOZQJFHIHWXNQ-UHFFFAOYSA-N
Compound name
[5-fluoro-4-(hydroxymethyl)-2-methoxyphenyl]-(4-fluoroindol-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.08636 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.09364 169.0
[M+Na]+ 340.07558 180.6
[M-H]- 316.07908 173.0
[M+NH4]+ 335.12018 184.9
[M+K]+ 356.04952 175.1
[M+H-H2O]+ 300.08362 159.8
[M+HCOO]- 362.08456 189.1
[M+CH3COO]- 376.10021 205.2
[M+Na-2H]- 338.06103 170.4
[M]+ 317.08581 171.6
[M]- 317.08691 171.6
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.