CID 202005

Hc 1522

Structural Information

Molecular Formula
C12H14ClNO4
SMILES
C1C(CO1)(COC2=CC=C(C=C2)Cl)COC(=O)N
InChI
InChI=1S/C12H14ClNO4/c13-9-1-3-10(4-2-9)17-7-12(5-16-6-12)8-18-11(14)15/h1-4H,5-8H2,(H2,14,15)
InChIKey
VFCCYJZXNLTXHC-UHFFFAOYSA-N
Compound name
[3-[(4-chlorophenoxy)methyl]oxetan-3-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.06113 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.068406 153.0
[M+Na]+ 294.050348 158.8
[M-H]- 270.053854 159.4
[M+NH4]+ 289.094953 163.6
[M+K]+ 310.024288 160.3
[M+H-H2O]+ 254.058390 142.3
[M+HCOO]- 316.059331 169.9
[M+CH3COO]- 330.074981 197.7
[M+Na-2H]- 292.035796 158.5
[M]+ 271.06058142 165.5
[M]- 271.06167858 165.5
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

No patent data available for this compound.