CID 58288236

144989-16-2

Structural Information

Molecular Formula
C8H6BrF
SMILES
C=C(C1=CC=C(C=C1)Br)F
InChI
InChI=1S/C8H6BrF/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H2
InChIKey
HMYCFEQIZGEBIC-UHFFFAOYSA-N
Compound name
1-bromo-4-(1-fluoroethenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

35
Patents

199.96368 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.97096 132.7
[M+Na]+ 222.95290 144.7
[M-H]- 198.95640 138.1
[M+NH4]+ 217.99750 155.6
[M+K]+ 238.92684 133.6
[M+H-H2O]+ 182.96094 132.8
[M+HCOO]- 244.96188 153.3
[M+CH3COO]- 258.97753 182.8
[M+Na-2H]- 220.93835 140.0
[M]+ 199.96313 148.9
[M]- 199.96423 148.9
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