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

53
Patents

189.9997 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.006976 131.5
[M+Na]+ 212.988918 140.8
[M-H]- 188.992424 132.7
[M+NH4]+ 208.033523 151.9
[M+K]+ 228.962858 136.9
[M+H-H2O]+ 172.996960 125.6
[M+HCOO]- 234.997901 147.7
[M+CH3COO]- 249.013551 179.9
[M+Na-2H]- 210.974366 138.2
[M]+ 189.99915142 130.5
[M]- 190.00024858 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