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

300
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 138.2
[M+Na]+ 220.01357 146.6
[M-H]- 196.01707 142.2
[M+NH4]+ 215.05817 158.2
[M+K]+ 235.98751 143.4
[M+H-H2O]+ 180.02161 133.4
[M+HCOO]- 242.02255 158.2
[M+CH3COO]- 256.03820 184.4
[M+Na-2H]- 217.99902 143.1
[M]+ 197.02380 140.0
[M]- 197.02490 140.0
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