CID 7010345

Benzoyl chloride, 3-(acetyloxy)-2-methyl-

Structural Information

Molecular Formula
C10H9ClO3
SMILES
CC1=C(C=CC=C1OC(=O)C)C(=O)Cl
InChI
InChI=1S/C10H9ClO3/c1-6-8(10(11)13)4-3-5-9(6)14-7(2)12/h3-5H,1-2H3
InChIKey
COLDUSGLGQXXEJ-UHFFFAOYSA-N
Compound name
(3-carbonochloridoyl-2-methylphenyl) acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

259
Patents

212.02402 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.031296 139.2
[M+Na]+ 235.013238 148.9
[M-H]- 211.016744 143.5
[M+NH4]+ 230.057843 159.2
[M+K]+ 250.987178 146.2
[M+H-H2O]+ 195.021280 134.8
[M+HCOO]- 257.022221 158.1
[M+CH3COO]- 271.037871 185.8
[M+Na-2H]- 232.998686 142.9
[M]+ 212.02347142 144.0
[M]- 212.02456858 144.0
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