CID 126971875

2-chloro-1-(3,3-difluorocyclobutyl)ethan-1-one

Structural Information

Molecular Formula
C6H7ClF2O
SMILES
C1C(CC1(F)F)C(=O)CCl
InChI
InChI=1S/C6H7ClF2O/c7-3-5(10)4-1-6(8,9)2-4/h4H,1-3H2
InChIKey
SMUJXPUTGDHCLH-UHFFFAOYSA-N
Compound name
2-chloro-1-(3,3-difluorocyclobutyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.01535 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.02263 125.0
[M+Na]+ 191.00457 133.6
[M-H]- 167.00807 126.4
[M+NH4]+ 186.04917 142.1
[M+K]+ 206.97851 133.4
[M+H-H2O]+ 151.01261 116.3
[M+HCOO]- 213.01355 140.4
[M+CH3COO]- 227.02920 180.6
[M+Na-2H]- 188.99002 129.9
[M]+ 168.01480 132.3
[M]- 168.01590 132.3
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.