CID 139022734

3,3-difluorocycloheptan-1-one

Structural Information

Molecular Formula
C7H10F2O
SMILES
C1CCC(CC(=O)C1)(F)F
InChI
InChI=1S/C7H10F2O/c8-7(9)4-2-1-3-6(10)5-7/h1-5H2
InChIKey
YKYRLTULYKGDAT-UHFFFAOYSA-N
Compound name
3,3-difluorocycloheptan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.06998 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07726 118.6
[M+Na]+ 171.05920 123.8
[M-H]- 147.06270 120.6
[M+NH4]+ 166.10380 140.1
[M+K]+ 187.03314 126.3
[M+H-H2O]+ 131.06724 113.3
[M+HCOO]- 193.06818 137.1
[M+CH3COO]- 207.08383 176.0
[M+Na-2H]- 169.04465 124.3
[M]+ 148.06943 109.6
[M]- 148.07053 109.6
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.