CID 18421800

(3-methoxyphenyl)methyl chloroformate

Structural Information

Molecular Formula
C9H9ClO3
SMILES
COC1=CC=CC(=C1)COC(=O)Cl
InChI
InChI=1S/C9H9ClO3/c1-12-8-4-2-3-7(5-8)6-13-9(10)11/h2-5H,6H2,1H3
InChIKey
DTLMHWUBPMDABT-UHFFFAOYSA-N
Compound name
(3-methoxyphenyl)methyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

200.02402 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.031296 137.2
[M+Na]+ 223.013238 146.4
[M-H]- 199.016744 141.2
[M+NH4]+ 218.057843 157.5
[M+K]+ 238.987178 144.0
[M+H-H2O]+ 183.021280 132.4
[M+HCOO]- 245.022221 157.2
[M+CH3COO]- 259.037871 181.6
[M+Na-2H]- 220.998686 143.2
[M]+ 200.02347142 142.5
[M]- 200.02456858 142.5
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