CID 3020086

Beta-chlorophenethyl chloroformate

Structural Information

Molecular Formula
C9H8Cl2O2
SMILES
C1=CC=C(C=C1)C(COC(=O)Cl)Cl
InChI
InChI=1S/C9H8Cl2O2/c10-8(6-13-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKey
OTRYZZCHZJTDCZ-UHFFFAOYSA-N
Compound name
(2-chloro-2-phenylethyl) carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

217.99013 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.997406 140.2
[M+Na]+ 240.979348 148.6
[M-H]- 216.982854 143.1
[M+NH4]+ 236.023953 159.8
[M+K]+ 256.953288 144.5
[M+H-H2O]+ 200.987390 136.2
[M+HCOO]- 262.988331 153.9
[M+CH3COO]- 277.003981 184.1
[M+Na-2H]- 238.964796 144.9
[M]+ 217.98958142 144.1
[M]- 217.99067858 144.1
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