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

8
Patents

201.01927 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.02655 137.7
[M+Na]+ 224.00849 145.9
[M-H]- 200.01199 140.3
[M+NH4]+ 219.05309 156.5
[M+K]+ 239.98243 138.9
[M+H-H2O]+ 184.01653 138.3
[M+HCOO]- 246.01747 157.0
[M+CH3COO]- 260.03312 175.7
[M+Na-2H]- 221.99394 143.6
[M]+ 201.01872 137.9
[M]- 201.01982 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