CID 22064630

854762-47-3

Structural Information

Molecular Formula
C8H5F2NO
SMILES
C1C2=C(C=CC(=C2C(=O)N1)F)F
InChI
InChI=1S/C8H5F2NO/c9-5-1-2-6(10)7-4(5)3-11-8(7)12/h1-2H,3H2,(H,11,12)
InChIKey
FBIRCWQFZUEINW-UHFFFAOYSA-N
Compound name
4,7-difluoro-2,3-dihydroisoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

169.03392 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04120 128.5
[M+Na]+ 192.02314 139.5
[M-H]- 168.02664 128.5
[M+NH4]+ 187.06774 150.3
[M+K]+ 207.99708 135.4
[M+H-H2O]+ 152.03118 121.6
[M+HCOO]- 214.03212 148.1
[M+CH3COO]- 228.04777 176.0
[M+Na-2H]- 190.00859 133.2
[M]+ 169.03337 124.5
[M]- 169.03447 124.5
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