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]+ 182.061186 134.9
[M+Na]+ 204.043128 143.6
[M-H]- 180.046634 134.5
[M+NH4]+ 199.087733 155.1
[M+K]+ 220.017068 139.9
[M+H-H2O]+ 164.051170 128.7
[M+HCOO]- 226.052111 152.9
[M+CH3COO]- 240.067761 175.5
[M+Na-2H]- 202.028576 138.7
[M]+ 181.05336142 130.9
[M]- 181.05445858 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.