CID 3015608

5-fluoro-2-methyl-1h-indene-3-acetic acid

Structural Information

Molecular Formula
C12H11FO2
SMILES
CC1=C(C2=C(C1)C=CC(=C2)F)CC(=O)O
InChI
InChI=1S/C12H11FO2/c1-7-4-8-2-3-9(13)5-11(8)10(7)6-12(14)15/h2-3,5H,4,6H2,1H3,(H,14,15)
InChIKey
QDDPPRDVFIJASZ-UHFFFAOYSA-N
Compound name
2-(6-fluoro-2-methyl-3H-inden-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

159
Patents

206.07431 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.081586 141.9
[M+Na]+ 229.063528 151.7
[M-H]- 205.067034 144.6
[M+NH4]+ 224.108133 163.6
[M+K]+ 245.037468 148.0
[M+H-H2O]+ 189.071570 136.3
[M+HCOO]- 251.072511 163.2
[M+CH3COO]- 265.088161 185.3
[M+Na-2H]- 227.048976 144.9
[M]+ 206.07376142 142.1
[M]- 206.07485858 142.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe