CID 90318488

2-(3,3-difluorocyclobutyl)acetaldehyde

Structural Information

Molecular Formula
C6H8F2O
SMILES
C1C(CC1(F)F)CC=O
InChI
InChI=1S/C6H8F2O/c7-6(8)3-5(4-6)1-2-9/h2,5H,1,3-4H2
InChIKey
CRKBNRQSAKCDPE-UHFFFAOYSA-N
Compound name
2-(3,3-difluorocyclobutyl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

134.05432 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.06160 121.7
[M+Na]+ 157.04354 129.5
[M-H]- 133.04704 123.3
[M+NH4]+ 152.08814 139.2
[M+K]+ 173.01748 131.2
[M+H-H2O]+ 117.05158 112.0
[M+HCOO]- 179.05252 142.2
[M+CH3COO]- 193.06817 176.1
[M+Na-2H]- 155.02899 127.9
[M]+ 134.05377 127.8
[M]- 134.05487 127.8
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