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]+ 165.082256 130.7
[M+Na]+ 187.064198 140.9
[M-H]- 163.067704 133.4
[M+NH4]+ 182.108803 153.3
[M+K]+ 203.038138 137.3
[M+H-H2O]+ 147.072240 124.1
[M+HCOO]- 209.073181 153.5
[M+CH3COO]- 223.088831 181.7
[M+Na-2H]- 185.049646 136.4
[M]+ 164.07443142 127.9
[M]- 164.07552858 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.