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]+ 209.01123 149.3
[M+Na]+ 230.99317 159.2
[M-H]- 206.99667 152.3
[M+NH4]+ 226.03777 166.1
[M+K]+ 246.96711 150.9
[M+H-H2O]+ 191.00121 142.1
[M+HCOO]- 253.00215 166.2
[M+CH3COO]- 267.01780 190.5
[M+Na-2H]- 228.97862 154.4
[M]+ 208.00340 143.9
[M]- 208.00450 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.