CID 15891

Phenyl chloroformate

Structural Information

Molecular Formula
C7H5ClO2
SMILES
C1=CC=C(C=C1)OC(=O)Cl
InChI
InChI=1S/C7H5ClO2/c8-7(9)10-6-4-2-1-3-5-6/h1-5H
InChIKey
AHWALFGBDFAJAI-UHFFFAOYSA-N
Compound name
phenyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

34
References

32662
Patents

155.9978 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.00508 125.6
[M+Na]+ 178.98702 134.8
[M-H]- 154.99052 129.5
[M+NH4]+ 174.03162 147.4
[M+K]+ 194.96096 132.3
[M+H-H2O]+ 138.99506 121.2
[M+HCOO]- 200.99600 146.0
[M+CH3COO]- 215.01165 172.5
[M+Na-2H]- 176.97247 133.4
[M]+ 155.99725 128.3
[M]- 155.99835 128.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe