CID 10378165

Benzyl 2-bromo-2,2-difluoroacetate

Structural Information

Molecular Formula
C9H7BrF2O2
SMILES
C1=CC=C(C=C1)COC(=O)C(F)(F)Br
InChI
InChI=1S/C9H7BrF2O2/c10-9(11,12)8(13)14-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
ZYBCQKXKMSMAAO-UHFFFAOYSA-N
Compound name
benzyl 2-bromo-2,2-difluoroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

263.95975 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.967026 149.0
[M+Na]+ 286.948968 160.1
[M-H]- 262.952474 152.7
[M+NH4]+ 281.993573 169.1
[M+K]+ 302.922908 149.4
[M+H-H2O]+ 246.957010 147.7
[M+HCOO]- 308.957951 167.1
[M+CH3COO]- 322.973601 190.4
[M+Na-2H]- 284.934416 156.0
[M]+ 263.95920142 166.1
[M]- 263.96029858 166.1
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