CID 6586

Methyl chloroformate

Structural Information

Molecular Formula
C2H3ClO2
SMILES
COC(=O)Cl
InChI
InChI=1S/C2H3ClO2/c1-5-2(3)4/h1H3
InChIKey
XMJHPCRAQCTCFT-UHFFFAOYSA-N
Compound name
methyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

83
References

64160
Patents

93.982155 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 94.989431 109.8
[M+Na]+ 116.97137 119.6
[M-H]- 92.974879 110.8
[M+NH4]+ 112.01598 134.3
[M+K]+ 132.94531 119.1
[M+H-H2O]+ 76.979415 107.2
[M+HCOO]- 138.98036 130.2
[M+CH3COO]- 152.99601 162.2
[M+Na-2H]- 114.95682 117.6
[M]+ 93.981606 112.8
[M]- 93.982704 112.8
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

No patent data available for this compound.