CID 167730965

5-(difluoromethyl)spiro[2.3]hexane-5-carbaldehyde

Structural Information

Molecular Formula
C8H10F2O
SMILES
C1CC12CC(C2)(C=O)C(F)F
InChI
InChI=1S/C8H10F2O/c9-6(10)8(5-11)3-7(4-8)1-2-7/h5-6H,1-4H2
InChIKey
HKPVDOGVWGWLKO-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)spiro[2.3]hexane-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.06998 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07726 131.0
[M+Na]+ 183.05920 139.8
[M-H]- 159.06270 135.7
[M+NH4]+ 178.10380 144.9
[M+K]+ 199.03314 141.4
[M+H-H2O]+ 143.06724 121.8
[M+HCOO]- 205.06818 149.5
[M+CH3COO]- 219.08383 183.6
[M+Na-2H]- 181.04465 137.4
[M]+ 160.06943 138.9
[M]- 160.07053 138.9
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

No patent data available for this compound.