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

11
Patents

201.01927 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.02655 137.8
[M+Na]+ 224.00849 147.2
[M-H]- 200.01199 140.7
[M+NH4]+ 219.05309 156.9
[M+K]+ 239.98243 139.7
[M+H-H2O]+ 184.01653 138.5
[M+HCOO]- 246.01747 158.0
[M+CH3COO]- 260.03312 176.1
[M+Na-2H]- 221.99394 144.2
[M]+ 201.01872 139.0
[M]- 201.01982 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