CID 548512

2-chloro-6-nitroanisole

Structural Information

Molecular Formula
C7H6ClNO3
SMILES
COC1=C(C=CC=C1Cl)[N+](=O)[O-]
InChI
InChI=1S/C7H6ClNO3/c1-12-7-5(8)3-2-4-6(7)9(10)11/h2-4H,1H3
InChIKey
MSBUQNLLSANFDL-UHFFFAOYSA-N
Compound name
1-chloro-2-methoxy-3-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

74
Patents

187.00362 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.010896 133.5
[M+Na]+ 209.992838 142.9
[M-H]- 185.996344 137.7
[M+NH4]+ 205.037443 153.7
[M+K]+ 225.966778 136.6
[M+H-H2O]+ 170.000880 133.9
[M+HCOO]- 232.001821 155.6
[M+CH3COO]- 246.017471 174.8
[M+Na-2H]- 207.978286 141.6
[M]+ 187.00307142 135.9
[M]- 187.00416858 135.9
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

patents stripe