CID 22475315

2,2-difluoro-2-phenylacetyl chloride

Structural Information

Molecular Formula
C8H5ClF2O
SMILES
C1=CC=C(C=C1)C(C(=O)Cl)(F)F
InChI
InChI=1S/C8H5ClF2O/c9-7(12)8(10,11)6-4-2-1-3-5-6/h1-5H
InChIKey
WHESXQIOHUXMOJ-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-phenylacetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

189.9997 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00698 131.5
[M+Na]+ 212.98892 140.8
[M-H]- 188.99242 132.7
[M+NH4]+ 208.03352 151.9
[M+K]+ 228.96286 136.9
[M+H-H2O]+ 172.99696 125.6
[M+HCOO]- 234.99790 147.7
[M+CH3COO]- 249.01355 179.9
[M+Na-2H]- 210.97437 138.2
[M]+ 189.99915 130.5
[M]- 190.00025 130.5
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