CID 66631

4-chloro-2-nitroanisole

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

91
Patents

187.00362 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.01090 133.5
[M+Na]+ 209.99284 142.9
[M-H]- 185.99634 137.7
[M+NH4]+ 205.03744 153.7
[M+K]+ 225.96678 136.6
[M+H-H2O]+ 170.00088 133.9
[M+HCOO]- 232.00182 155.6
[M+CH3COO]- 246.01747 174.8
[M+Na-2H]- 207.97829 141.6
[M]+ 187.00307 135.9
[M]- 187.00417 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

literature stripe

Patent stripe

patents stripe