CID 19956470

2-chloro-4-ethenyl-1-fluorobenzene

Structural Information

Molecular Formula
C8H6ClF
SMILES
C=CC1=CC(=C(C=C1)F)Cl
InChI
InChI=1S/C8H6ClF/c1-2-6-3-4-8(10)7(9)5-6/h2-5H,1H2
InChIKey
YKEAXNQRVSFQSI-UHFFFAOYSA-N
Compound name
2-chloro-4-ethenyl-1-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

156.0142 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.02148 124.6
[M+Na]+ 179.00342 135.5
[M-H]- 155.00692 127.5
[M+NH4]+ 174.04802 147.1
[M+K]+ 194.97736 131.0
[M+H-H2O]+ 139.01146 119.9
[M+HCOO]- 201.01240 144.2
[M+CH3COO]- 215.02805 176.4
[M+Na-2H]- 176.98887 131.2
[M]+ 156.01365 125.1
[M]- 156.01475 125.1
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