CID 3822077

151945-84-5

Structural Information

Molecular Formula
C8H6ClFO
SMILES
CC(=O)C1=CC(=C(C=C1)Cl)F
InChI
InChI=1S/C8H6ClFO/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H3
InChIKey
ATZHNDSADJDUPJ-UHFFFAOYSA-N
Compound name
1-(4-chloro-3-fluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

285
Patents

172.00912 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.016396 127.7
[M+Na]+ 194.998338 138.3
[M-H]- 171.001844 130.7
[M+NH4]+ 190.042943 149.4
[M+K]+ 210.972278 134.7
[M+H-H2O]+ 155.006380 122.8
[M+HCOO]- 217.007321 146.5
[M+CH3COO]- 231.022971 179.1
[M+Na-2H]- 192.983786 133.0
[M]+ 172.00857142 129.0
[M]- 172.00966858 129.0
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

patents stripe