CID 167733495

1-[(tert-butyldimethylsilyl)oxy]-4,4-difluorocyclohexane-1-carbaldehyde

Structural Information

Molecular Formula
C13H24F2O2Si
SMILES
CC(C)(C)[Si](C)(C)OC1(CCC(CC1)(F)F)C=O
InChI
InChI=1S/C13H24F2O2Si/c1-11(2,3)18(4,5)17-12(10-16)6-8-13(14,15)9-7-12/h10H,6-9H2,1-5H3
InChIKey
KHUXINFNJNZSOK-UHFFFAOYSA-N
Compound name
1-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorocyclohexane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.15137 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.15865 160.4
[M+Na]+ 301.14059 166.7
[M-H]- 277.14409 160.9
[M+NH4]+ 296.18519 181.3
[M+K]+ 317.11453 165.5
[M+H-H2O]+ 261.14863 155.4
[M+HCOO]- 323.14957 174.4
[M+CH3COO]- 337.16522 196.9
[M+Na-2H]- 299.12604 165.7
[M]+ 278.15082 157.8
[M]- 278.15192 157.8
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

No patent data available for this compound.