CID 56932637

Benzyl 3,3-difluoroprop-2-enoate

Structural Information

Molecular Formula
C10H8F2O2
SMILES
C1=CC=C(C=C1)COC(=O)C=C(F)F
InChI
InChI=1S/C10H8F2O2/c11-9(12)6-10(13)14-7-8-4-2-1-3-5-8/h1-6H,7H2
InChIKey
DZPFKJWTIJDKGF-UHFFFAOYSA-N
Compound name
benzyl 3,3-difluoroprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.04924 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.056516 138.7
[M+Na]+ 221.038458 145.9
[M-H]- 197.041964 139.5
[M+NH4]+ 216.083063 157.7
[M+K]+ 237.012398 143.7
[M+H-H2O]+ 181.046500 131.0
[M+HCOO]- 243.047441 159.7
[M+CH3COO]- 257.063091 182.4
[M+Na-2H]- 219.023906 142.7
[M]+ 198.04869142 136.7
[M]- 198.04978858 136.7
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

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