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

425
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 135.7
[M+Na]+ 221.99284 149.9
[M+NH4]+ 217.03744 144.2
[M+K]+ 237.96678 146.2
[M-H]- 197.99634 138.7
[M+Na-2H]- 219.97829 142.6
[M]+ 199.00307 138.7
[M]- 199.00417 138.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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