CID 7010341

4-acetamidobenzoyl chloride

Structural Information

Molecular Formula
C9H8ClNO2
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)Cl
InChI
InChI=1S/C9H8ClNO2/c1-6(12)11-8-4-2-7(3-5-8)9(10)13/h2-5H,1H3,(H,11,12)
InChIKey
KRKXGCJUNKZXOY-UHFFFAOYSA-N
Compound name
4-acetamidobenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

345
Patents

197.02435 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.03163 138.7
[M+Na]+ 220.01357 151.1
[M+NH4]+ 215.05817 146.8
[M+K]+ 235.98751 145.2
[M-H]- 196.01707 140.5
[M+Na-2H]- 217.99902 145.2
[M]+ 197.02380 141.1
[M]- 197.02490 141.1
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