CID 63291822

6-fluoro-2-methyl-2,3-dihydro-1h-isoindol-1-imine hydrobromide

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 130.7
[M+Na]+ 187.06420 140.9
[M-H]- 163.06770 133.4
[M+NH4]+ 182.10880 153.3
[M+K]+ 203.03814 137.3
[M+H-H2O]+ 147.07224 124.1
[M+HCOO]- 209.07318 153.5
[M+CH3COO]- 223.08883 181.7
[M+Na-2H]- 185.04965 136.4
[M]+ 164.07443 127.9
[M]- 164.07553 127.9
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.