CID 3016173

(3-nitrophenoxy)acetyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

214.99854 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.005816 140.3
[M+Na]+ 237.987758 148.2
[M-H]- 213.991264 144.0
[M+NH4]+ 233.032363 158.7
[M+K]+ 253.961698 142.0
[M+H-H2O]+ 197.995800 140.1
[M+HCOO]- 259.996741 161.5
[M+CH3COO]- 274.012391 178.4
[M+Na-2H]- 235.973206 147.4
[M]+ 214.99799142 142.7
[M]- 214.99908858 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

No literature data available for this compound.

Patent stripe

patents stripe