CID 130139966

1-(1-bromoethyl)-2,3,4-trifluorobenzene

Structural Information

Molecular Formula
C8H6BrF3
SMILES
CC(C1=C(C(=C(C=C1)F)F)F)Br
InChI
InChI=1S/C8H6BrF3/c1-4(9)5-2-3-6(10)8(12)7(5)11/h2-4H,1H3
InChIKey
QMTCCHAQLOEYBT-UHFFFAOYSA-N
Compound name
1-(1-bromoethyl)-2,3,4-trifluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

237.9605 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.96778 140.9
[M+Na]+ 260.94972 154.3
[M-H]- 236.95322 144.2
[M+NH4]+ 255.99432 162.7
[M+K]+ 276.92366 142.8
[M+H-H2O]+ 220.95776 139.2
[M+HCOO]- 282.95870 159.1
[M+CH3COO]- 296.97435 191.0
[M+Na-2H]- 258.93517 145.3
[M]+ 237.95995 155.9
[M]- 237.96105 155.9
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