CID 46737501

4'-chloro-2',6'-difluoroacetophenone

Structural Information

Molecular Formula
C8H5ClF2O
SMILES
CC(=O)C1=C(C=C(C=C1F)Cl)F
InChI
InChI=1S/C8H5ClF2O/c1-4(12)8-6(10)2-5(9)3-7(8)11/h2-3H,1H3
InChIKey
VEZAUYYYYPJSKR-UHFFFAOYSA-N
Compound name
1-(4-chloro-2,6-difluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

189.9997 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.006976 129.2
[M+Na]+ 212.988918 140.8
[M-H]- 188.992424 131.2
[M+NH4]+ 208.033523 150.4
[M+K]+ 228.962858 136.8
[M+H-H2O]+ 172.996960 123.6
[M+HCOO]- 234.997901 147.0
[M+CH3COO]- 249.013551 183.1
[M+Na-2H]- 210.974366 133.4
[M]+ 189.99915142 129.8
[M]- 190.00024858 129.8
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