CID 84653343

2247103-60-0

Structural Information

Molecular Formula
C9H9F2N
SMILES
C1C2=C(CN1)C=C(C=C2)C(F)F
InChI
InChI=1S/C9H9F2N/c10-9(11)6-1-2-7-4-12-5-8(7)3-6/h1-3,9,12H,4-5H2
InChIKey
ATEDVYHPRRWWSJ-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)-2,3-dihydro-1H-isoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

169.07031 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07759 135.1
[M+Na]+ 192.05953 145.1
[M+NH4]+ 187.10413 143.0
[M+K]+ 208.03347 140.6
[M-H]- 168.06303 133.7
[M+Na-2H]- 190.04498 139.1
[M]+ 169.06976 135.8
[M]- 169.07086 135.8
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