CID 21459480

1-(2-bromoethyl)-3,5-difluorobenzene

Structural Information

Molecular Formula
C8H7BrF2
SMILES
C1=C(C=C(C=C1F)F)CCBr
InChI
InChI=1S/C8H7BrF2/c9-2-1-6-3-7(10)5-8(11)4-6/h3-5H,1-2H2
InChIKey
GNDFMCHYXPCYBW-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-3,5-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
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 137.1
[M+Na]+ 242.95914 150.0
[M-H]- 218.96264 141.4
[M+NH4]+ 238.00374 159.6
[M+K]+ 258.93308 138.5
[M+H-H2O]+ 202.96718 136.2
[M+HCOO]- 264.96812 157.4
[M+CH3COO]- 278.98377 186.5
[M+Na-2H]- 240.94459 144.1
[M]+ 219.96937 153.7
[M]- 219.97047 153.7
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