CID 83067353

Methyl 1-amino-4-fluoro-2,3-dihydro-1h-indene-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C11H12FNO2
SMILES
COC(=O)C1(CCC2=C1C=CC=C2F)N
InChI
InChI=1S/C11H12FNO2/c1-15-10(14)11(13)6-5-7-8(11)3-2-4-9(7)12/h2-4H,5-6,13H2,1H3
InChIKey
YEJMMKADUKJQDX-UHFFFAOYSA-N
Compound name
methyl 1-amino-4-fluoro-2,3-dihydroindene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.0852 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.092476 143.0
[M+Na]+ 232.074418 151.9
[M-H]- 208.077924 146.2
[M+NH4]+ 227.119023 166.4
[M+K]+ 248.048358 149.2
[M+H-H2O]+ 192.082460 137.3
[M+HCOO]- 254.083401 165.1
[M+CH3COO]- 268.099051 187.2
[M+Na-2H]- 230.059866 147.3
[M]+ 209.08465142 141.4
[M]- 209.08574858 141.4
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

No patent data available for this compound.