CID 2761400

Butyl 2,2-difluorocyclopropanecarboxylate

Structural Information

Molecular Formula
C8H12F2O2
SMILES
CCCCOC(=O)C1CC1(F)F
InChI
InChI=1S/C8H12F2O2/c1-2-3-4-12-7(11)6-5-8(6,9)10/h6H,2-5H2,1H3
InChIKey
JHIWVOJDXOSYLW-UHFFFAOYSA-N
Compound name
butyl 2,2-difluorocyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26684
Patents

178.08054 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.087816 133.4
[M+Na]+ 201.069758 143.4
[M-H]- 177.073264 135.9
[M+NH4]+ 196.114363 150.9
[M+K]+ 217.043698 142.0
[M+H-H2O]+ 161.077800 127.2
[M+HCOO]- 223.078741 154.2
[M+CH3COO]- 237.094391 184.3
[M+Na-2H]- 199.055206 138.3
[M]+ 178.07999142 136.5
[M]- 178.08108858 136.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe