CID 16217783

871126-37-3

Structural Information

Molecular Formula
C10H10ClNO4
SMILES
COC1=C(C(=CC(=C1)/C=C/[N+](=O)[O-])Cl)OC
InChI
InChI=1S/C10H10ClNO4/c1-15-9-6-7(3-4-12(13)14)5-8(11)10(9)16-2/h3-6H,1-2H3/b4-3+
InChIKey
AYULBTLOYLJHSB-ONEGZZNKSA-N
Compound name
1-chloro-2,3-dimethoxy-5-[(E)-2-nitroethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.02983 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.03711 149.6
[M+Na]+ 266.01905 158.8
[M-H]- 242.02255 153.6
[M+NH4]+ 261.06365 167.6
[M+K]+ 281.99299 151.6
[M+H-H2O]+ 226.02709 149.4
[M+HCOO]- 288.02803 171.0
[M+CH3COO]- 302.04368 185.3
[M+Na-2H]- 264.00450 155.5
[M]+ 243.02928 153.9
[M]- 243.03038 153.9
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.