CID 6477883

Carbon monoxide; 1-[(e)-2-(4-nitrophenyl)vinyl]pentylchromium

Structural Information

Molecular Formula
C13H13NO2
SMILES
[CH2][CH][CH][CH]C/C=C/C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C13H13NO2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h2-4,6-11H,1,5H2/b4-3?,7-6+
InChIKey
UGTHQUZXXMIRQF-HWNSXMLTSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.09464 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.10192 151.2
[M+Na]+ 238.08386 157.2
[M-H]- 214.08736 154.5
[M+NH4]+ 233.12846 169.2
[M+K]+ 254.05780 150.1
[M+H-H2O]+ 198.09190 149.5
[M+HCOO]- 260.09284 176.0
[M+CH3COO]- 274.10849 184.3
[M+Na-2H]- 236.06931 157.3
[M]+ 215.09409 151.2
[M]- 215.09519 151.2
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.