CID 11043392

99911-94-1

Structural Information

Molecular Formula
C14H11NO4
SMILES
C1=CC=C(C=C1)OC(=O)NC(=O)OC2=CC=CC=C2
InChI
InChI=1S/C14H11NO4/c16-13(18-11-7-3-1-4-8-11)15-14(17)19-12-9-5-2-6-10-12/h1-10H,(H,15,16,17)
InChIKey
FOXXAQRNEIMDEC-UHFFFAOYSA-N
Compound name
phenyl N-phenoxycarbonylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

257.06882 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.07610 155.7
[M+Na]+ 280.05804 161.3
[M-H]- 256.06154 162.3
[M+NH4]+ 275.10264 171.4
[M+K]+ 296.03198 159.6
[M+H-H2O]+ 240.06608 147.5
[M+HCOO]- 302.06702 180.4
[M+CH3COO]- 316.08267 192.6
[M+Na-2H]- 278.04349 161.7
[M]+ 257.06827 156.7
[M]- 257.06937 156.7
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