CID 37789

Brn 1044160

Structural Information

Molecular Formula
C19H14FNO5
SMILES
CC1=C(C2=CC3=C(C=C2N1C(=O)C4=CC=C(C=C4)F)OCO3)CC(=O)O
InChI
InChI=1S/C19H14FNO5/c1-10-13(7-18(22)23)14-6-16-17(26-9-25-16)8-15(14)21(10)19(24)11-2-4-12(20)5-3-11/h2-6,8H,7,9H2,1H3,(H,22,23)
InChIKey
LGKGUWXZSVOXPT-UHFFFAOYSA-N
Compound name
2-[5-(4-fluorobenzoyl)-6-methyl-[1,3]dioxolo[4,5-f]indol-7-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

355.0856 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.09288 181.0
[M+Na]+ 378.07482 193.4
[M+NH4]+ 373.11942 186.8
[M+K]+ 394.04876 192.5
[M-H]- 354.07832 184.1
[M+Na-2H]- 376.06027 182.9
[M]+ 355.08505 183.4
[M]- 355.08615 183.4
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