CID 72218218

Methyl 2-(4-bromophenyl)-2,2-difluoroacetate

Structural Information

Molecular Formula
C9H7BrF2O2
SMILES
COC(=O)C(C1=CC=C(C=C1)Br)(F)F
InChI
InChI=1S/C9H7BrF2O2/c1-14-8(13)9(11,12)6-2-4-7(10)5-3-6/h2-5H,1H3
InChIKey
NGBJVVVKPWOFIG-UHFFFAOYSA-N
Compound name
methyl 2-(4-bromophenyl)-2,2-difluoroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 152.2
[M+Na]+ 286.94897 153.8
[M+NH4]+ 281.99357 155.2
[M+K]+ 302.92291 154.3
[M-H]- 262.95247 149.3
[M+Na-2H]- 284.93442 153.9
[M]+ 263.95920 150.3
[M]- 263.96030 150.3
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