CID 81522

2-chloro-4-nitrobenzoyl chloride

Structural Information

Molecular Formula
C7H3Cl2NO3
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)Cl
InChI
InChI=1S/C7H3Cl2NO3/c8-6-3-4(10(12)13)1-2-5(6)7(9)11/h1-3H
InChIKey
KTHNITVDTYAHFF-UHFFFAOYSA-N
Compound name
2-chloro-4-nitrobenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

518
Patents

218.949 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.95628 137.0
[M+Na]+ 241.93822 152.1
[M+NH4]+ 236.98282 145.7
[M+K]+ 257.91216 148.0
[M-H]- 217.94172 139.8
[M+Na-2H]- 239.92367 143.8
[M]+ 218.94845 140.4
[M]- 218.94955 140.4
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

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