CID 4448486

77331-26-1

Structural Information

Molecular Formula
C15H13Cl2NO
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C15H13Cl2NO/c1-9-5-3-6-10(2)14(9)18-15(19)13-11(16)7-4-8-12(13)17/h3-8H,1-2H3,(H,18,19)
InChIKey
LZPQHPCDGJEJKX-UHFFFAOYSA-N
Compound name
2,6-dichloro-N-(2,6-dimethylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.0374 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.04468 163.4
[M+Na]+ 316.02662 173.7
[M-H]- 292.03012 170.0
[M+NH4]+ 311.07122 180.5
[M+K]+ 332.00056 166.9
[M+H-H2O]+ 276.03466 157.9
[M+HCOO]- 338.03560 178.2
[M+CH3COO]- 352.05125 204.0
[M+Na-2H]- 314.01207 165.9
[M]+ 293.03685 167.3
[M]- 293.03795 167.3
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

No patent data available for this compound.