CID 21874344

Benzyloxychloroformate

Structural Information

Molecular Formula
C8H7ClO3
SMILES
C1=CC=C(C=C1)COOC(=O)Cl
InChI
InChI=1S/C8H7ClO3/c9-8(10)12-11-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
HFNGWVXNSWWIGC-UHFFFAOYSA-N
Compound name
phenylmethoxy carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

452
Patents

186.00838 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.015656 133.2
[M+Na]+ 208.997598 141.9
[M-H]- 185.001104 136.9
[M+NH4]+ 204.042203 153.7
[M+K]+ 224.971538 139.7
[M+H-H2O]+ 169.005640 128.4
[M+HCOO]- 231.006581 153.5
[M+CH3COO]- 245.022231 177.5
[M+Na-2H]- 206.983046 140.4
[M]+ 186.00783142 137.7
[M]- 186.00892858 137.7
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