CID 137965931

3-fluoro-5-(propan-2-yl)-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C12H12FNO2
SMILES
CC(C)C1=CC2=C(C=C1)NC(=C2F)C(=O)O
InChI
InChI=1S/C12H12FNO2/c1-6(2)7-3-4-9-8(5-7)10(13)11(14-9)12(15)16/h3-6,14H,1-2H3,(H,15,16)
InChIKey
SZWBBUQNAJWGJX-UHFFFAOYSA-N
Compound name
3-fluoro-5-propan-2-yl-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.0852 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.09248 147.7
[M+Na]+ 244.07442 159.0
[M+NH4]+ 239.11902 154.4
[M+K]+ 260.04836 155.9
[M-H]- 220.07792 146.4
[M+Na-2H]- 242.05987 151.2
[M]+ 221.08465 148.7
[M]- 221.08575 148.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.