CID 105430193

2-cyclopropyl-2,2-difluoroacetyl chloride

Structural Information

Molecular Formula
C5H5ClF2O
SMILES
C1CC1C(C(=O)Cl)(F)F
InChI
InChI=1S/C5H5ClF2O/c6-4(9)5(7,8)3-1-2-3/h3H,1-2H2
InChIKey
AFRBEABBRJXZLP-UHFFFAOYSA-N
Compound name
2-cyclopropyl-2,2-difluoroacetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.9997 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.00698 119.8
[M+Na]+ 176.98892 130.1
[M-H]- 152.99242 121.9
[M+NH4]+ 172.03352 136.7
[M+K]+ 192.96286 126.8
[M+H-H2O]+ 136.99696 113.8
[M+HCOO]- 198.99790 135.8
[M+CH3COO]- 213.01355 177.8
[M+Na-2H]- 174.97437 126.1
[M]+ 153.99915 120.8
[M]- 154.00025 120.8
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

No patent data available for this compound.