CID 15917590

2-phenylethyl chloroformate

Structural Information

Molecular Formula
C9H9ClO2
SMILES
C1=CC=C(C=C1)CCOC(=O)Cl
InChI
InChI=1S/C9H9ClO2/c10-9(11)12-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
DKULSTMKCYRQCP-UHFFFAOYSA-N
Compound name
2-phenylethyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

199
Patents

184.02911 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.03639 135.2
[M+Na]+ 207.01833 143.5
[M-H]- 183.02183 138.7
[M+NH4]+ 202.06293 155.8
[M+K]+ 222.99227 140.5
[M+H-H2O]+ 167.02637 130.3
[M+HCOO]- 229.02731 154.9
[M+CH3COO]- 243.04296 178.5
[M+Na-2H]- 205.00378 141.8
[M]+ 184.02856 138.6
[M]- 184.02966 138.6
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

patents stripe