CID 12411827

2-chloro-1-methoxy-3-nitrobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

187.00362 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.01090 131.7
[M+Na]+ 209.99284 146.8
[M+NH4]+ 205.03744 140.8
[M+K]+ 225.96678 142.7
[M-H]- 185.99634 135.3
[M+Na-2H]- 207.97829 139.1
[M]+ 187.00307 135.1
[M]- 187.00417 135.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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