CID 6452210

2-(4-nitrophenyl)acetyl chloride

Structural Information

Molecular Formula
C8H6ClNO3
SMILES
C1=CC(=CC=C1CC(=O)Cl)[N+](=O)[O-]
InChI
InChI=1S/C8H6ClNO3/c9-8(11)5-6-1-3-7(4-2-6)10(12)13/h1-4H,5H2
InChIKey
FYXZTVPBFJQFBO-UHFFFAOYSA-N
Compound name
2-(4-nitrophenyl)acetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

492
Patents

199.00362 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.01090 137.5
[M+Na]+ 221.99284 145.6
[M-H]- 197.99634 141.2
[M+NH4]+ 217.03744 156.6
[M+K]+ 237.96678 138.8
[M+H-H2O]+ 182.00088 137.6
[M+HCOO]- 244.00182 158.4
[M+CH3COO]- 258.01747 176.4
[M+Na-2H]- 219.97829 144.5
[M]+ 199.00307 138.5
[M]- 199.00417 138.5
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

No patent data available for this compound.