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
2
Annotation Hits

0
References

229
Patents

214.00328 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.010556 138.4
[M+Na]+ 236.992498 147.6
[M-H]- 212.996004 142.6
[M+NH4]+ 232.037103 158.0
[M+K]+ 252.966438 145.7
[M+H-H2O]+ 197.000540 133.7
[M+HCOO]- 259.001481 157.9
[M+CH3COO]- 273.017131 183.0
[M+Na-2H]- 234.977946 143.3
[M]+ 214.00273142 143.8
[M]- 214.00382858 143.8
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