CID 15020053

4-(2-bromoethyl)-1,2-difluorobenzene

Structural Information

Molecular Formula
C8H7BrF2
SMILES
C1=CC(=C(C=C1CCBr)F)F
InChI
InChI=1S/C8H7BrF2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5H,3-4H2
InChIKey
XCKJCCCKEWTUIV-UHFFFAOYSA-N
Compound name
4-(2-bromoethyl)-1,2-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

219.96992 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.97720 143.2
[M+Na]+ 242.95914 146.6
[M+NH4]+ 238.00374 147.9
[M+K]+ 258.93308 145.0
[M-H]- 218.96264 142.2
[M+Na-2H]- 240.94459 146.3
[M]+ 219.96937 142.2
[M]- 219.97047 142.2
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