CID 11321874

20142-87-4

Structural Information

Molecular Formula
C8H6ClNO4
SMILES
C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)Cl
InChI
InChI=1S/C8H6ClNO4/c9-8(11)5-14-7-4-2-1-3-6(7)10(12)13/h1-4H,5H2
InChIKey
AEWBGACGIKCIJH-UHFFFAOYSA-N
Compound name
2-(2-nitrophenoxy)acetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

214.99854 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.00582 140.3
[M+Na]+ 237.98776 148.2
[M-H]- 213.99126 144.0
[M+NH4]+ 233.03236 158.7
[M+K]+ 253.96170 142.0
[M+H-H2O]+ 197.99580 140.1
[M+HCOO]- 259.99674 161.5
[M+CH3COO]- 274.01239 178.4
[M+Na-2H]- 235.97321 147.4
[M]+ 214.99799 142.7
[M]- 214.99909 142.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe