CID 854163

4-methoxycarbonylphenyl chloroformate

Structural Information

Molecular Formula
C9H7ClO4
SMILES
COC(=O)C1=CC=C(C=C1)OC(=O)Cl
InChI
InChI=1S/C9H7ClO4/c1-13-8(11)6-2-4-7(5-3-6)14-9(10)12/h2-5H,1H3
InChIKey
PPVBQEZMYRAXPV-UHFFFAOYSA-N
Compound name
methyl 4-carbonochloridoyloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

214.00328 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.01056 139.6
[M+Na]+ 236.99250 152.3
[M+NH4]+ 232.03710 147.0
[M+K]+ 252.96644 147.2
[M-H]- 212.99600 140.1
[M+Na-2H]- 234.97795 145.6
[M]+ 214.00273 141.7
[M]- 214.00383 141.7
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

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