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]+ 210.09248 143.0
[M+Na]+ 232.07442 151.9
[M-H]- 208.07792 146.2
[M+NH4]+ 227.11902 166.4
[M+K]+ 248.04836 149.2
[M+H-H2O]+ 192.08246 137.3
[M+HCOO]- 254.08340 165.1
[M+CH3COO]- 268.09905 187.2
[M+Na-2H]- 230.05987 147.3
[M]+ 209.08465 141.4
[M]- 209.08575 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.