CID 2772338

71987-67-2

Structural Information

Molecular Formula
C11H10FNO2
SMILES
CC1=C(C2=C(N1)C=CC(=C2)F)CC(=O)O
InChI
InChI=1S/C11H10FNO2/c1-6-8(5-11(14)15)9-4-7(12)2-3-10(9)13-6/h2-4,13H,5H2,1H3,(H,14,15)
InChIKey
VJZAMNBVIWOUJR-UHFFFAOYSA-N
Compound name
2-(5-fluoro-2-methyl-1H-indol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

66
Patents

207.06955 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.076826 141.1
[M+Na]+ 230.058768 152.0
[M-H]- 206.062274 141.6
[M+NH4]+ 225.103373 160.9
[M+K]+ 246.032708 147.4
[M+H-H2O]+ 190.066810 134.9
[M+HCOO]- 252.067751 161.4
[M+CH3COO]- 266.083401 182.2
[M+Na-2H]- 228.044216 145.1
[M]+ 207.06900142 141.2
[M]- 207.07009858 141.2
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