CID 72207525

3,3-difluorocyclobutanone

Structural Information

Molecular Formula
C4H4F2O
SMILES
C1C(=O)CC1(F)F
InChI
InChI=1S/C4H4F2O/c5-4(6)1-3(7)2-4/h1-2H2
InChIKey
DOVLQPYYSCACJX-UHFFFAOYSA-N
Compound name
3,3-difluorocyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

256
Patents

106.02302 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.03030 112.1
[M+Na]+ 129.01224 120.8
[M-H]- 105.01574 114.2
[M+NH4]+ 124.05684 130.8
[M+K]+ 144.98618 123.1
[M+H-H2O]+ 89.020280 103.0
[M+HCOO]- 151.02122 133.4
[M+CH3COO]- 165.03687 170.2
[M+Na-2H]- 126.99769 119.6
[M]+ 106.02247 117.6
[M]- 106.02357 117.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe