CID 165778862

3-(3,3-difluorocyclobutyl)propanal

Structural Information

Molecular Formula
C7H10F2O
SMILES
C1C(CC1(F)F)CCC=O
InChI
InChI=1S/C7H10F2O/c8-7(9)4-6(5-7)2-1-3-10/h3,6H,1-2,4-5H2
InChIKey
XZLAWGADMVVBLV-UHFFFAOYSA-N
Compound name
3-(3,3-difluorocyclobutyl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.06998 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07726 126.4
[M+Na]+ 171.05920 133.8
[M-H]- 147.06270 127.9
[M+NH4]+ 166.10380 143.4
[M+K]+ 187.03314 135.3
[M+H-H2O]+ 131.06724 116.5
[M+HCOO]- 193.06818 146.6
[M+CH3COO]- 207.08383 179.0
[M+Na-2H]- 169.04465 132.1
[M]+ 148.06943 132.9
[M]- 148.07053 132.9
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.