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 179.5
[M+Na]+ 378.07482 190.0
[M-H]- 354.07832 187.2
[M+NH4]+ 373.11942 193.6
[M+K]+ 394.04876 187.8
[M+H-H2O]+ 338.08286 172.9
[M+HCOO]- 400.08380 196.7
[M+CH3COO]- 414.09945 191.3
[M+Na-2H]- 376.06027 179.7
[M]+ 355.08505 184.9
[M]- 355.08615 184.9
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