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

56
Patents

263.95975 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.96703 149.0
[M+Na]+ 286.94897 160.1
[M-H]- 262.95247 152.7
[M+NH4]+ 281.99357 169.1
[M+K]+ 302.92291 149.4
[M+H-H2O]+ 246.95701 147.7
[M+HCOO]- 308.95795 167.1
[M+CH3COO]- 322.97360 190.4
[M+Na-2H]- 284.93442 156.0
[M]+ 263.95920 166.1
[M]- 263.96030 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