CID 37107

Phenyl n-(3-nitrophenyl)carbamate

Structural Information

Molecular Formula
C13H10N2O4
SMILES
C1=CC=C(C=C1)OC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H10N2O4/c16-13(19-12-7-2-1-3-8-12)14-10-5-4-6-11(9-10)15(17)18/h1-9H,(H,14,16)
InChIKey
JRBQTHUEPKJNBD-UHFFFAOYSA-N
Compound name
phenyl N-(3-nitrophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

258.06406 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.071336 153.9
[M+Na]+ 281.053278 159.1
[M-H]- 257.056784 160.6
[M+NH4]+ 276.097883 168.8
[M+K]+ 297.027218 152.8
[M+H-H2O]+ 241.061320 150.3
[M+HCOO]- 303.062261 180.2
[M+CH3COO]- 317.077911 189.0
[M+Na-2H]- 279.038726 162.0
[M]+ 258.06351142 152.3
[M]- 258.06460858 152.3
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

patents stripe