CID 16217782

871126-36-2

Structural Information

Molecular Formula
C9H8ClNO4
SMILES
COC1=C(C(=C(C=C1)/C=C/[N+](=O)[O-])Cl)O
InChI
InChI=1S/C9H8ClNO4/c1-15-7-3-2-6(4-5-11(13)14)8(10)9(7)12/h2-5,12H,1H3/b5-4+
InChIKey
QZEDAZIMUBBLPG-SNAWJCMRSA-N
Compound name
2-chloro-6-methoxy-3-[(E)-2-nitroethenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.01419 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.02147 143.3
[M+Na]+ 252.00341 157.3
[M+NH4]+ 247.04801 150.8
[M+K]+ 267.97735 153.8
[M-H]- 228.00691 145.5
[M+Na-2H]- 249.98886 148.7
[M]+ 229.01364 146.0
[M]- 229.01474 146.0
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.