CID 7679

Phenylacetyl chloride

Structural Information

Molecular Formula
C8H7ClO
SMILES
C1=CC=C(C=C1)CC(=O)Cl
InChI
InChI=1S/C8H7ClO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
VMZCDNSFRSVYKQ-UHFFFAOYSA-N
Compound name
2-phenylacetyl chloride
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

17
References

16314
Patents

154.01854 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.02582 127.1
[M+Na]+ 177.00776 135.8
[M-H]- 153.01126 130.8
[M+NH4]+ 172.05236 149.0
[M+K]+ 192.98170 132.6
[M+H-H2O]+ 137.01580 122.7
[M+HCOO]- 199.01674 147.0
[M+CH3COO]- 213.03239 174.2
[M+Na-2H]- 174.99321 134.4
[M]+ 154.01799 128.8
[M]- 154.01909 128.8
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