CID 129916431

1260010-30-7

Structural Information

Molecular Formula
C9H5F3O
SMILES
C1CC(=O)C2=CC(=C(C(=C21)F)F)F
InChI
InChI=1S/C9H5F3O/c10-6-3-5-4(1-2-7(5)13)8(11)9(6)12/h3H,1-2H2
InChIKey
JXTLSFSNTNJKDZ-UHFFFAOYSA-N
Compound name
4,5,6-trifluoro-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.02925 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.03653 130.1
[M+Na]+ 209.01847 142.1
[M-H]- 185.02197 131.9
[M+NH4]+ 204.06307 153.6
[M+K]+ 224.99241 138.3
[M+H-H2O]+ 169.02651 123.2
[M+HCOO]- 231.02745 151.2
[M+CH3COO]- 245.04310 183.1
[M+Na-2H]- 207.00392 133.7
[M]+ 186.02870 127.0
[M]- 186.02980 127.0
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.