CID 5373895

(e)-4-(2-chloro-6-fluoro-phenyl)-but-3-en-2-one

Structural Information

Molecular Formula
C10H8ClFO
SMILES
CC(=O)/C=C/C1=C(C=CC=C1Cl)F
InChI
InChI=1S/C10H8ClFO/c1-7(13)5-6-8-9(11)3-2-4-10(8)12/h2-6H,1H3/b6-5+
InChIKey
VZRBDBXFAKDNDJ-AATRIKPKSA-N
Compound name
(E)-4-(2-chloro-6-fluorophenyl)but-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

198.02477 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.03205 136.1
[M+Na]+ 221.01399 146.3
[M-H]- 197.01749 138.9
[M+NH4]+ 216.05859 156.8
[M+K]+ 236.98793 141.5
[M+H-H2O]+ 181.02203 131.0
[M+HCOO]- 243.02297 154.5
[M+CH3COO]- 257.03862 183.6
[M+Na-2H]- 218.99944 140.4
[M]+ 198.02422 137.4
[M]- 198.02532 137.4
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