CID 112699118

1-cyclopentyl-2,2-difluoroethan-1-one

Structural Information

Molecular Formula
C7H10F2O
SMILES
C1CCC(C1)C(=O)C(F)F
InChI
InChI=1S/C7H10F2O/c8-7(9)6(10)5-3-1-2-4-5/h5,7H,1-4H2
InChIKey
JZJBUMLNJWXSLO-UHFFFAOYSA-N
Compound name
1-cyclopentyl-2,2-difluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.06998 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07726 129.5
[M+Na]+ 171.05920 135.3
[M-H]- 147.06270 129.9
[M+NH4]+ 166.10380 152.0
[M+K]+ 187.03314 134.6
[M+H-H2O]+ 131.06724 122.7
[M+HCOO]- 193.06818 148.7
[M+CH3COO]- 207.08383 174.5
[M+Na-2H]- 169.04465 130.7
[M]+ 148.06943 123.5
[M]- 148.07053 123.5
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

No patent data available for this compound.