CID 3015935

2,6-dichloro-3-methyl-4-nitrophenol

Structural Information

Molecular Formula
C7H5Cl2NO3
SMILES
CC1=C(C(=C(C=C1[N+](=O)[O-])Cl)O)Cl
InChI
InChI=1S/C7H5Cl2NO3/c1-3-5(10(12)13)2-4(8)7(11)6(3)9/h2,11H,1H3
InChIKey
BIXNDXIFMLMASZ-UHFFFAOYSA-N
Compound name
2,6-dichloro-3-methyl-4-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

220.96465 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.971926 139.1
[M+Na]+ 243.953868 149.8
[M-H]- 219.957374 141.6
[M+NH4]+ 238.998473 158.0
[M+K]+ 259.927808 141.4
[M+H-H2O]+ 203.961910 141.2
[M+HCOO]- 265.962851 154.5
[M+CH3COO]- 279.978501 179.1
[M+Na-2H]- 241.939316 144.5
[M]+ 220.96410142 141.4
[M]- 220.96519858 141.4
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