CID 84020610

3,3-difluorocyclopentane-1-carbaldehyde

Structural Information

Molecular Formula
C6H8F2O
SMILES
C1CC(CC1C=O)(F)F
InChI
InChI=1S/C6H8F2O/c7-6(8)2-1-5(3-6)4-9/h4-5H,1-3H2
InChIKey
AHLQCSUZPCONHF-UHFFFAOYSA-N
Compound name
3,3-difluorocyclopentane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

134.05432 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.06160 121.8
[M+Na]+ 157.04354 130.5
[M-H]- 133.04704 123.0
[M+NH4]+ 152.08814 147.4
[M+K]+ 173.01748 129.3
[M+H-H2O]+ 117.05158 116.3
[M+HCOO]- 179.05252 143.5
[M+CH3COO]- 193.06817 170.5
[M+Na-2H]- 155.02899 126.8
[M]+ 134.05377 117.4
[M]- 134.05487 117.4
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

patents stripe