CID 5743479

5-isopropyl-3-methylphenyl chloroformate

Structural Information

Molecular Formula
C11H13ClO2
SMILES
CC1=CC(=CC(=C1)OC(=O)Cl)C(C)C
InChI
InChI=1S/C11H13ClO2/c1-7(2)9-4-8(3)5-10(6-9)14-11(12)13/h4-7H,1-3H3
InChIKey
BBPDRHBZXDFJBM-UHFFFAOYSA-N
Compound name
(3-methyl-5-propan-2-ylphenyl) carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

212.06041 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.067686 142.4
[M+Na]+ 235.049628 151.6
[M-H]- 211.053134 146.6
[M+NH4]+ 230.094233 162.6
[M+K]+ 251.023568 148.6
[M+H-H2O]+ 195.057670 138.0
[M+HCOO]- 257.058611 160.6
[M+CH3COO]- 271.074261 187.7
[M+Na-2H]- 233.035076 145.5
[M]+ 212.05986142 146.8
[M]- 212.06095858 146.8
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.