CID 4777748

893731-39-0

Structural Information

Molecular Formula
C11H8FNO3
SMILES
CN1C2=C(C=C(C=C2)F)C(=C1C(=O)O)C=O
InChI
InChI=1S/C11H8FNO3/c1-13-9-3-2-6(12)4-7(9)8(5-14)10(13)11(15)16/h2-5H,1H3,(H,15,16)
InChIKey
AGTFDJYQJDBABU-UHFFFAOYSA-N
Compound name
5-fluoro-3-formyl-1-methylindole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

221.04883 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.05611 141.8
[M+Na]+ 244.03805 154.1
[M-H]- 220.04155 144.0
[M+NH4]+ 239.08265 161.8
[M+K]+ 260.01199 150.4
[M+H-H2O]+ 204.04609 135.5
[M+HCOO]- 266.04703 164.0
[M+CH3COO]- 280.06268 187.2
[M+Na-2H]- 242.02350 145.7
[M]+ 221.04828 144.9
[M]- 221.04938 144.9
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