CID 20095719

7-chloro-5-fluoro-3,4-dihydronaphthalen-1(2h)-one

Structural Information

Molecular Formula
C10H8ClFO
SMILES
C1CC2=C(C=C(C=C2F)Cl)C(=O)C1
InChI
InChI=1S/C10H8ClFO/c11-6-4-8-7(9(12)5-6)2-1-3-10(8)13/h4-5H,1-3H2
InChIKey
QTASVQLMUBSTRB-UHFFFAOYSA-N
Compound name
7-chloro-5-fluoro-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

198.02477 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.03205 135.5
[M+Na]+ 221.01399 145.8
[M-H]- 197.01749 138.9
[M+NH4]+ 216.05859 157.2
[M+K]+ 236.98793 140.9
[M+H-H2O]+ 181.02203 130.2
[M+HCOO]- 243.02297 151.6
[M+CH3COO]- 257.03862 183.5
[M+Na-2H]- 218.99944 141.4
[M]+ 198.02422 134.5
[M]- 198.02532 134.5
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