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]+ 230.021466 144.6
[M+Na]+ 252.003408 153.8
[M-H]- 228.006914 147.5
[M+NH4]+ 247.048013 162.5
[M+K]+ 267.977348 146.0
[M+H-H2O]+ 212.011450 145.0
[M+HCOO]- 274.012391 164.9
[M+CH3COO]- 288.028041 179.5
[M+Na-2H]- 249.988856 150.7
[M]+ 229.01364142 146.8
[M]- 229.01473858 146.8
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.