CID 63291822

2344679-20-3

Structural Information

Molecular Formula
C9H9FN2
SMILES
CN1CC2=C(C1=N)C=C(C=C2)F
InChI
InChI=1S/C9H9FN2/c1-12-5-6-2-3-7(10)4-8(6)9(12)11/h2-4,11H,5H2,1H3
InChIKey
JPSNZZQYGYXIOG-UHFFFAOYSA-N
Compound name
6-fluoro-2-methyl-3H-isoindol-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.07498 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.08226 132.6
[M+Na]+ 187.06420 144.3
[M+NH4]+ 182.10880 141.4
[M+K]+ 203.03814 139.4
[M-H]- 163.06770 133.8
[M+Na-2H]- 185.04965 137.7
[M]+ 164.07443 134.4
[M]- 164.07553 134.4
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.