CID 2736507

700-35-6

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

234
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

literature stripe

Patent stripe

patents stripe