CID 230740

(2-nitrophenyl)cyanamide

Structural Information

Molecular Formula
C7H5N3O2
SMILES
C1=CC=C(C(=C1)NC#N)[N+](=O)[O-]
InChI
InChI=1S/C7H5N3O2/c8-5-9-6-3-1-2-4-7(6)10(11)12/h1-4,9H
InChIKey
JAFZFVHQPVIUAW-UHFFFAOYSA-N
Compound name
(2-nitrophenyl)cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.03818 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.04546 136.6
[M+Na]+ 186.02740 145.4
[M-H]- 162.03090 139.8
[M+NH4]+ 181.07200 153.8
[M+K]+ 202.00134 139.7
[M+H-H2O]+ 146.03544 128.1
[M+HCOO]- 208.03638 159.6
[M+CH3COO]- 222.05203 186.7
[M+Na-2H]- 184.01285 144.6
[M]+ 163.03763 129.2
[M]- 163.03873 129.2
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