CID 122240267

4,4-difluoro-2,2-dimethylbutanal

Structural Information

Molecular Formula
C6H10F2O
SMILES
CC(C)(CC(F)F)C=O
InChI
InChI=1S/C6H10F2O/c1-6(2,4-9)3-5(7)8/h4-5H,3H2,1-2H3
InChIKey
VKVGHFBQHZFJPE-UHFFFAOYSA-N
Compound name
4,4-difluoro-2,2-dimethylbutanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.06998 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07726 124.8
[M+Na]+ 159.05920 132.7
[M-H]- 135.06270 122.8
[M+NH4]+ 154.10380 146.8
[M+K]+ 175.03314 132.4
[M+H-H2O]+ 119.06724 119.4
[M+HCOO]- 181.06818 144.4
[M+CH3COO]- 195.08383 174.9
[M+Na-2H]- 157.04465 130.3
[M]+ 136.06943 123.3
[M]- 136.07053 123.3
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.