CID 112963

Benzoyl chloride, 4-[(2s)-2-methylbutyl]-

Structural Information

Molecular Formula
C12H15ClO
SMILES
CC[C@H](C)CC1=CC=C(C=C1)C(=O)Cl
InChI
InChI=1S/C12H15ClO/c1-3-9(2)8-10-4-6-11(7-5-10)12(13)14/h4-7,9H,3,8H2,1-2H3/t9-/m0/s1
InChIKey
JTFWIFQALWOEGT-VIFPVBQESA-N
Compound name
4-[(2S)-2-methylbutyl]benzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

210.08115 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.08843 145.0
[M+Na]+ 233.07037 152.7
[M-H]- 209.07387 148.5
[M+NH4]+ 228.11497 164.9
[M+K]+ 249.04431 148.9
[M+H-H2O]+ 193.07841 140.2
[M+HCOO]- 255.07935 162.6
[M+CH3COO]- 269.09500 188.2
[M+Na-2H]- 231.05582 148.1
[M]+ 210.08060 148.0
[M]- 210.08170 148.0
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