CID 12369086

2-methyl-2-phenylpropanoyl chloride

Structural Information

Molecular Formula
C10H11ClO
SMILES
CC(C)(C1=CC=CC=C1)C(=O)Cl
InChI
InChI=1S/C10H11ClO/c1-10(2,9(11)12)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey
XSKYEGXKYATCRE-UHFFFAOYSA-N
Compound name
2-methyl-2-phenylpropanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

218
Patents

182.04984 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.05712 136.2
[M+Na]+ 205.03906 144.5
[M-H]- 181.04256 139.9
[M+NH4]+ 200.08366 157.1
[M+K]+ 221.01300 141.1
[M+H-H2O]+ 165.04710 131.9
[M+HCOO]- 227.04804 153.8
[M+CH3COO]- 241.06369 180.5
[M+Na-2H]- 203.02451 143.0
[M]+ 182.04929 138.2
[M]- 182.05039 138.2
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