CID 81110

5-chloro-2-nitroanisole

Structural Information

Molecular Formula
C7H6ClNO3
SMILES
COC1=C(C=CC(=C1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C7H6ClNO3/c1-12-7-4-5(8)2-3-6(7)9(10)11/h2-4H,1H3
InChIKey
ABEUJUYEUCCZQF-UHFFFAOYSA-N
Compound name
4-chloro-2-methoxy-1-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

602
Patents

187.00362 Da
Monoisotopic Mass

2.4
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

literature stripe

Patent stripe

patents stripe