CID 14990696

1-(4-chloro-3-nitrophenyl)ethan-1-ol

Structural Information

Molecular Formula
C8H8ClNO3
SMILES
CC(C1=CC(=C(C=C1)Cl)[N+](=O)[O-])O
InChI
InChI=1S/C8H8ClNO3/c1-5(11)6-2-3-7(9)8(4-6)10(12)13/h2-5,11H,1H3
InChIKey
DPECJWNICWLDNB-UHFFFAOYSA-N
Compound name
1-(4-chloro-3-nitrophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

201.01927 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.026546 137.7
[M+Na]+ 224.008488 145.9
[M-H]- 200.011994 140.3
[M+NH4]+ 219.053093 156.5
[M+K]+ 239.982428 138.9
[M+H-H2O]+ 184.016530 138.3
[M+HCOO]- 246.017471 157.0
[M+CH3COO]- 260.033121 175.7
[M+Na-2H]- 221.993936 143.6
[M]+ 201.01872142 137.9
[M]- 201.01981858 137.9
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