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
1
Annotation Hits

0
References

63
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 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

No literature data available for this compound.

Patent stripe

patents stripe