CID 67237780

1-bromo-2-ethenyl-3-fluorobenzene

Structural Information

Molecular Formula
C8H6BrF
SMILES
C=CC1=C(C=CC=C1Br)F
InChI
InChI=1S/C8H6BrF/c1-2-6-7(9)4-3-5-8(6)10/h2-5H,1H2
InChIKey
UKLLBAUMMFPJRC-UHFFFAOYSA-N
Compound name
1-bromo-2-ethenyl-3-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

199.96368 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.97096 134.6
[M+Na]+ 222.95290 139.0
[M+NH4]+ 217.99750 140.1
[M+K]+ 238.92684 137.6
[M-H]- 198.95640 134.9
[M+Na-2H]- 220.93835 138.8
[M]+ 199.96313 134.2
[M]- 199.96423 134.2
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