CID 84763057

1-(1,1-difluoroethyl)cyclobutane-1-carbaldehyde

Structural Information

Molecular Formula
C7H10F2O
SMILES
CC(C1(CCC1)C=O)(F)F
InChI
InChI=1S/C7H10F2O/c1-6(8,9)7(5-10)3-2-4-7/h5H,2-4H2,1H3
InChIKey
AYHIYCVPXQJKTD-UHFFFAOYSA-N
Compound name
1-(1,1-difluoroethyl)cyclobutane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.06998 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07726 127.8
[M+Na]+ 171.05920 134.8
[M-H]- 147.06270 129.2
[M+NH4]+ 166.10380 144.6
[M+K]+ 187.03314 136.6
[M+H-H2O]+ 131.06724 118.3
[M+HCOO]- 193.06818 146.5
[M+CH3COO]- 207.08383 178.2
[M+Na-2H]- 169.04465 134.7
[M]+ 148.06943 133.4
[M]- 148.07053 133.4
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.