CID 11679924

2-methyl-3-phenylpropanoyl chloride

Structural Information

Molecular Formula
C10H11ClO
SMILES
CC(CC1=CC=CC=C1)C(=O)Cl
InChI
InChI=1S/C10H11ClO/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKey
OWAWAFKVPTWIBP-UHFFFAOYSA-N
Compound name
2-methyl-3-phenylpropanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

182.04984 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.05712 136.5
[M+Na]+ 205.03906 144.1
[M-H]- 181.04256 139.9
[M+NH4]+ 200.08366 157.2
[M+K]+ 221.01300 140.7
[M+H-H2O]+ 165.04710 131.8
[M+HCOO]- 227.04804 154.7
[M+CH3COO]- 241.06369 181.1
[M+Na-2H]- 203.02451 141.4
[M]+ 182.04929 138.3
[M]- 182.05039 138.3
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