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

61817
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

literature stripe

Patent stripe

patents stripe