CID 3021305

Brn 5073693

Structural Information

Molecular Formula
C14H10ClNO4
SMILES
C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)Cl)OC(=O)N
InChI
InChI=1S/C14H10ClNO4/c15-9-5-7-10(8-6-9)19-13(17)11-3-1-2-4-12(11)20-14(16)18/h1-8H,(H2,16,18)
InChIKey
SYIFAVZVJRMWFJ-UHFFFAOYSA-N
Compound name
(4-chlorophenyl) 2-carbamoyloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.02985 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.037126 161.1
[M+Na]+ 314.019068 169.4
[M-H]- 290.022574 167.8
[M+NH4]+ 309.063673 176.7
[M+K]+ 329.993008 165.6
[M+H-H2O]+ 274.027110 154.3
[M+HCOO]- 336.028051 180.7
[M+CH3COO]- 350.043701 199.5
[M+Na-2H]- 312.004516 164.4
[M]+ 291.02930142 164.6
[M]- 291.03039858 164.6
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.