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

432
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

literature stripe

Patent stripe

patents stripe