CID 3016058

2-chloro-6-cyclohexyl-4-nitrophenol

Structural Information

Molecular Formula
C12H14ClNO3
SMILES
C1CCC(CC1)C2=C(C(=CC(=C2)[N+](=O)[O-])Cl)O
InChI
InChI=1S/C12H14ClNO3/c13-11-7-9(14(16)17)6-10(12(11)15)8-4-2-1-3-5-8/h6-8,15H,1-5H2
InChIKey
HOVSIVIXNWEURQ-UHFFFAOYSA-N
Compound name
2-chloro-6-cyclohexyl-4-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.06622 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07350 155.2
[M+Na]+ 278.05544 160.8
[M-H]- 254.05894 159.9
[M+NH4]+ 273.10004 171.3
[M+K]+ 294.02938 152.5
[M+H-H2O]+ 238.06348 154.1
[M+HCOO]- 300.06442 171.1
[M+CH3COO]- 314.08007 185.0
[M+Na-2H]- 276.04089 159.1
[M]+ 255.06567 151.2
[M]- 255.06677 151.2
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

No patent data available for this compound.