CID 137946047

6,6-difluorospiro[2.5]octane-1-carbaldehyde

Structural Information

Molecular Formula
C9H12F2O
SMILES
C1CC(CCC12CC2C=O)(F)F
InChI
InChI=1S/C9H12F2O/c10-9(11)3-1-8(2-4-9)5-7(8)6-12/h6-7H,1-5H2
InChIKey
GKXDYWHIYFKCNL-UHFFFAOYSA-N
Compound name
6,6-difluorospiro[2.5]octane-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

174.08562 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09290 134.6
[M+Na]+ 197.07484 144.1
[M-H]- 173.07834 138.9
[M+NH4]+ 192.11944 154.1
[M+K]+ 213.04878 142.8
[M+H-H2O]+ 157.08288 128.6
[M+HCOO]- 219.08382 152.7
[M+CH3COO]- 233.09947 181.8
[M+Na-2H]- 195.06029 141.0
[M]+ 174.08507 131.9
[M]- 174.08617 131.9
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