CID 165949012

2866334-33-8

Structural Information

Molecular Formula
C8H10F2O
SMILES
CC1(CC2(C1)CC2(F)F)C=O
InChI
InChI=1S/C8H10F2O/c1-6(5-11)2-7(3-6)4-8(7,9)10/h5H,2-4H2,1H3
InChIKey
UXBRLXQBMWSDNK-UHFFFAOYSA-N
Compound name
2,2-difluoro-5-methylspiro[2.3]hexane-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.06998 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07726 130.8
[M+Na]+ 183.05920 141.5
[M-H]- 159.06270 136.4
[M+NH4]+ 178.10380 147.0
[M+K]+ 199.03314 143.3
[M+H-H2O]+ 143.06724 123.5
[M+HCOO]- 205.06818 149.9
[M+CH3COO]- 219.08383 183.9
[M+Na-2H]- 181.04465 138.9
[M]+ 160.06943 140.3
[M]- 160.07053 140.3
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.