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

6
Patents

221.04883 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.056106 141.8
[M+Na]+ 244.038048 154.1
[M-H]- 220.041554 144.0
[M+NH4]+ 239.082653 161.8
[M+K]+ 260.011988 150.4
[M+H-H2O]+ 204.046090 135.5
[M+HCOO]- 266.047031 164.0
[M+CH3COO]- 280.062681 187.2
[M+Na-2H]- 242.023496 145.7
[M]+ 221.04828142 144.9
[M]- 221.04937858 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