CID 53363866

937273-30-8

Structural Information

Molecular Formula
C9H10ClNO4
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])CO)OCCCl
InChI
InChI=1S/C9H10ClNO4/c10-3-4-15-9-2-1-8(11(13)14)5-7(9)6-12/h1-2,5,12H,3-4,6H2
InChIKey
LUQGPOJLYPDIGI-UHFFFAOYSA-N
Compound name
[2-(2-chloroethoxy)-5-nitrophenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

231.02983 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.03711 146.1
[M+Na]+ 254.01905 153.9
[M-H]- 230.02255 148.4
[M+NH4]+ 249.06365 163.6
[M+K]+ 269.99299 146.7
[M+H-H2O]+ 214.02709 146.0
[M+HCOO]- 276.02803 166.1
[M+CH3COO]- 290.04368 180.1
[M+Na-2H]- 252.00450 152.7
[M]+ 231.02928 148.6
[M]- 231.03038 148.6
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