CID 75481914

1820619-19-9

Structural Information

Molecular Formula
C8H7F2N
SMILES
C1C2=CC(=C(C=C2CN1)F)F
InChI
InChI=1S/C8H7F2N/c9-7-1-5-3-11-4-6(5)2-8(7)10/h1-2,11H,3-4H2
InChIKey
OOTOCEVRELBOSL-UHFFFAOYSA-N
Compound name
5,6-difluoro-2,3-dihydro-1H-isoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

155.05466 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06194 126.6
[M+Na]+ 178.04388 136.5
[M-H]- 154.04738 126.3
[M+NH4]+ 173.08848 148.9
[M+K]+ 194.01782 132.5
[M+H-H2O]+ 138.05192 119.5
[M+HCOO]- 200.05286 145.9
[M+CH3COO]- 214.06851 140.0
[M+Na-2H]- 176.02933 132.0
[M]+ 155.05411 121.5
[M]- 155.05521 121.5
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

patents stripe