CID 129921484

98994-30-0

Structural Information

Molecular Formula
C10H7ClO
SMILES
C#CC1=CC=C(C=C1)C(=O)CCl
InChI
InChI=1S/C10H7ClO/c1-2-8-3-5-9(6-4-8)10(12)7-11/h1,3-6H,7H2
InChIKey
MANAVHGZJUXPRF-UHFFFAOYSA-N
Compound name
2-chloro-1-(4-ethynylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.01854 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.02582 133.0
[M+Na]+ 201.00776 146.9
[M+NH4]+ 196.05236 138.7
[M+K]+ 216.98170 136.8
[M-H]- 177.01126 127.4
[M+Na-2H]- 198.99321 137.7
[M]+ 178.01799 132.9
[M]- 178.01909 132.9
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

No patent data available for this compound.