CID 84653342

4-(difluoromethyl)-2,3-dihydro-1h-isoindole hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 132.1
[M+Na]+ 192.05953 140.2
[M-H]- 168.06303 131.2
[M+NH4]+ 187.10413 153.3
[M+K]+ 208.03347 136.4
[M+H-H2O]+ 152.06757 124.5
[M+HCOO]- 214.06851 150.0
[M+CH3COO]- 228.08416 176.5
[M+Na-2H]- 190.04498 136.3
[M]+ 169.06976 126.2
[M]- 169.07086 126.2
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