CID 347957

2,4-dichloro-n-methylbenzamide

Structural Information

Molecular Formula
C8H7Cl2NO
SMILES
CNC(=O)C1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C8H7Cl2NO/c1-11-8(12)6-3-2-5(9)4-7(6)10/h2-4H,1H3,(H,11,12)
InChIKey
LHGOQNXBLLXSIZ-UHFFFAOYSA-N
Compound name
2,4-dichloro-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

202.99046 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.99774 137.7
[M+Na]+ 225.97968 147.7
[M-H]- 201.98318 141.2
[M+NH4]+ 221.02428 158.2
[M+K]+ 241.95362 142.9
[M+H-H2O]+ 185.98772 134.1
[M+HCOO]- 247.98866 153.4
[M+CH3COO]- 262.00431 185.3
[M+Na-2H]- 223.96513 142.8
[M]+ 202.98991 140.3
[M]- 202.99101 140.3
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

patents stripe