CID 3016372

O-sec-butylphenyl chloroformate

Structural Information

Molecular Formula
C11H13ClO2
SMILES
CCC(C)C1=CC=CC=C1OC(=O)Cl
InChI
InChI=1S/C11H13ClO2/c1-3-8(2)9-6-4-5-7-10(9)14-11(12)13/h4-8H,3H2,1-2H3
InChIKey
HHRQQKZGRTXSHV-UHFFFAOYSA-N
Compound name
(2-butan-2-ylphenyl) carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

212.06041 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.067686 143.6
[M+Na]+ 235.049628 151.7
[M-H]- 211.053134 147.3
[M+NH4]+ 230.094233 163.4
[M+K]+ 251.023568 148.7
[M+H-H2O]+ 195.057670 138.8
[M+HCOO]- 257.058611 161.7
[M+CH3COO]- 271.074261 186.5
[M+Na-2H]- 233.035076 147.2
[M]+ 212.05986142 147.6
[M]- 212.06095858 147.6
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.