CID 130064552

Methyl7-fluoro-2,3-dihydro-1h-isoindole-4-carboxylatehydrochloride

Structural Information

Molecular Formula
C10H10FNO2
SMILES
COC(=O)C1=C2CNCC2=C(C=C1)F
InChI
InChI=1S/C10H10FNO2/c1-14-10(13)6-2-3-9(11)8-5-12-4-7(6)8/h2-3,12H,4-5H2,1H3
InChIKey
DZNIHGOXPARACN-UHFFFAOYSA-N
Compound name
methyl 7-fluoro-2,3-dihydro-1H-isoindole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.06955 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07683 139.3
[M+Na]+ 218.05877 148.1
[M-H]- 194.06227 140.1
[M+NH4]+ 213.10337 159.8
[M+K]+ 234.03271 145.0
[M+H-H2O]+ 178.06681 132.7
[M+HCOO]- 240.06775 158.5
[M+CH3COO]- 254.08340 180.4
[M+Na-2H]- 216.04422 143.0
[M]+ 195.06900 137.5
[M]- 195.07010 137.5
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.