CID 130790008

2-(4-chloro-3-nitrophenyl)propan-2-ol

Structural Information

Molecular Formula
C9H10ClNO3
SMILES
CC(C)(C1=CC(=C(C=C1)Cl)[N+](=O)[O-])O
InChI
InChI=1S/C9H10ClNO3/c1-9(2,12)6-3-4-7(10)8(5-6)11(13)14/h3-5,12H,1-2H3
InChIKey
LMJXKNQYYKEKND-UHFFFAOYSA-N
Compound name
2-(4-chloro-3-nitrophenyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.03493 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.042206 142.3
[M+Na]+ 238.024148 150.9
[M-H]- 214.027654 145.2
[M+NH4]+ 233.068753 160.8
[M+K]+ 253.998088 143.6
[M+H-H2O]+ 198.032190 143.2
[M+HCOO]- 260.033131 160.7
[M+CH3COO]- 274.048781 178.2
[M+Na-2H]- 236.009596 150.1
[M]+ 215.03438142 143.1
[M]- 215.03547858 143.1
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.