CID 54857311

13910-82-2

Structural Information

Molecular Formula
C10H11ClO2
SMILES
CC1=CC(=CC=C1)C(C(=O)OC)Cl
InChI
InChI=1S/C10H11ClO2/c1-7-4-3-5-8(6-7)9(11)10(12)13-2/h3-6,9H,1-2H3
InChIKey
WBWSVXBALLOYSU-UHFFFAOYSA-N
Compound name
methyl 2-chloro-2-(3-methylphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.04475 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05203 139.3
[M+Na]+ 221.03397 152.8
[M+NH4]+ 216.07857 148.0
[M+K]+ 237.00791 146.4
[M-H]- 197.03747 141.1
[M+Na-2H]- 219.01942 146.1
[M]+ 198.04420 142.0
[M]- 198.04530 142.0
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

No patent data available for this compound.