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

218
Patents

184.02911 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.036386 135.2
[M+Na]+ 207.018328 143.5
[M-H]- 183.021834 138.7
[M+NH4]+ 202.062933 155.8
[M+K]+ 222.992268 140.5
[M+H-H2O]+ 167.026370 130.3
[M+HCOO]- 229.027311 154.9
[M+CH3COO]- 243.042961 178.5
[M+Na-2H]- 205.003776 141.8
[M]+ 184.02856142 138.6
[M]- 184.02965858 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