CID 22641057

4-bromo-1-ethyl-2-fluorobenzene

Structural Information

Molecular Formula
C8H8BrF
SMILES
CCC1=C(C=C(C=C1)Br)F
InChI
InChI=1S/C8H8BrF/c1-2-6-3-4-7(9)5-8(6)10/h3-5H,2H2,1H3
InChIKey
DRYFVMRQRVFHOH-UHFFFAOYSA-N
Compound name
4-bromo-1-ethyl-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

181
Patents

201.97934 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.98662 133.0
[M+Na]+ 224.96856 145.9
[M-H]- 200.97206 138.7
[M+NH4]+ 220.01316 156.3
[M+K]+ 240.94250 134.9
[M+H-H2O]+ 184.97660 133.1
[M+HCOO]- 246.97754 154.4
[M+CH3COO]- 260.99319 183.9
[M+Na-2H]- 222.95401 140.8
[M]+ 201.97879 150.8
[M]- 201.97989 150.8
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