CID 165949321

3-(1,1-difluoroethyl)bicyclo[1.1.1]pentane-1-carbaldehyde

Structural Information

Molecular Formula
C8H10F2O
SMILES
CC(C12CC(C1)(C2)C=O)(F)F
InChI
InChI=1S/C8H10F2O/c1-6(9,10)8-2-7(3-8,4-8)5-11/h5H,2-4H2,1H3
InChIKey
INSSKXXYBYMAHD-UHFFFAOYSA-N
Compound name
3-(1,1-difluoroethyl)bicyclo[1.1.1]pentane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.06998 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07726 152.2
[M+Na]+ 183.05920 157.6
[M-H]- 159.06270 154.1
[M+NH4]+ 178.10380 159.3
[M+K]+ 199.03314 162.3
[M+H-H2O]+ 143.06724 139.8
[M+HCOO]- 205.06818 163.4
[M+CH3COO]- 219.08383 206.8
[M+Na-2H]- 181.04465 159.2
[M]+ 160.06943 175.4
[M]- 160.07053 175.4
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

No patent data available for this compound.