CID 6435657

100908-77-8

Structural Information

Molecular Formula
C9H5ClN2O2
SMILES
C1=CC=C(C(=C1)/C=C(/C#N)\[N+](=O)[O-])Cl
InChI
InChI=1S/C9H5ClN2O2/c10-9-4-2-1-3-7(9)5-8(6-11)12(13)14/h1-5H/b8-5-
InChIKey
CEOKNMOSMCOCQE-YVMONPNESA-N
Compound name
(Z)-3-(2-chlorophenyl)-2-nitroprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.00395 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.011226 149.3
[M+Na]+ 230.993168 159.2
[M-H]- 206.996674 152.3
[M+NH4]+ 226.037773 166.1
[M+K]+ 246.967108 150.9
[M+H-H2O]+ 191.001210 142.1
[M+HCOO]- 253.002151 166.2
[M+CH3COO]- 267.017801 190.5
[M+Na-2H]- 228.978616 154.4
[M]+ 208.00340142 143.9
[M]- 208.00449858 143.9
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.