CID 85989610

(1-bromo-2,2-difluoroethyl)benzene

Structural Information

Molecular Formula
C8H7BrF2
SMILES
C1=CC=C(C=C1)C(C(F)F)Br
InChI
InChI=1S/C8H7BrF2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7-8H
InChIKey
BFXKRNWOALWBSL-UHFFFAOYSA-N
Compound name
(1-bromo-2,2-difluoroethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

219.96992 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.97720 139.9
[M+Na]+ 242.95914 150.4
[M-H]- 218.96264 143.5
[M+NH4]+ 238.00374 161.5
[M+K]+ 258.93308 139.8
[M+H-H2O]+ 202.96718 138.7
[M+HCOO]- 264.96812 158.2
[M+CH3COO]- 278.98377 186.0
[M+Na-2H]- 240.94459 145.7
[M]+ 219.96937 154.5
[M]- 219.97047 154.5
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