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]+ 272.06841 153.0
[M+Na]+ 294.05035 158.8
[M-H]- 270.05385 159.4
[M+NH4]+ 289.09495 163.6
[M+K]+ 310.02429 160.3
[M+H-H2O]+ 254.05839 142.3
[M+HCOO]- 316.05933 169.9
[M+CH3COO]- 330.07498 197.7
[M+Na-2H]- 292.03580 158.5
[M]+ 271.06058 165.5
[M]- 271.06168 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.