CID 3041039

Phenol, 4-chloro-2-ethyl-6-nitro-

Structural Information

Molecular Formula
C8H8ClNO3
SMILES
CCC1=C(C(=CC(=C1)Cl)[N+](=O)[O-])O
InChI
InChI=1S/C8H8ClNO3/c1-2-5-3-6(9)4-7(8(5)11)10(12)13/h3-4,11H,2H2,1H3
InChIKey
CDHJZGNGWPTAEO-UHFFFAOYSA-N
Compound name
4-chloro-2-ethyl-6-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

201.01927 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.026546 137.8
[M+Na]+ 224.008488 147.2
[M-H]- 200.011994 140.7
[M+NH4]+ 219.053093 156.9
[M+K]+ 239.982428 139.7
[M+H-H2O]+ 184.016530 138.5
[M+HCOO]- 246.017471 158.0
[M+CH3COO]- 260.033121 176.1
[M+Na-2H]- 221.993936 144.2
[M]+ 201.01872142 139.0
[M]- 201.01981858 139.0
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