CID 165947500

7-fluoro-2,3-dihydro-1h-isoindole-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C9H8FNO2
SMILES
C1C2=C(C=CC(=C2CN1)F)C(=O)O
InChI
InChI=1S/C9H8FNO2/c10-8-2-1-5(9(12)13)6-3-11-4-7(6)8/h1-2,11H,3-4H2,(H,12,13)
InChIKey
JBDOAGBVHMFHPF-UHFFFAOYSA-N
Compound name
7-fluoro-2,3-dihydro-1H-isoindole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.05391 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.06119 134.9
[M+Na]+ 204.04313 143.6
[M-H]- 180.04663 134.5
[M+NH4]+ 199.08773 155.1
[M+K]+ 220.01707 139.9
[M+H-H2O]+ 164.05117 128.7
[M+HCOO]- 226.05211 152.9
[M+CH3COO]- 240.06776 175.5
[M+Na-2H]- 202.02858 138.7
[M]+ 181.05336 130.9
[M]- 181.05446 130.9
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.