CID 707446

3,6-dichloro-2-methoxy-n-propan-2-ylbenzamide

Structural Information

Molecular Formula
C11H13Cl2NO2
SMILES
CC(C)NC(=O)C1=C(C=CC(=C1OC)Cl)Cl
InChI
InChI=1S/C11H13Cl2NO2/c1-6(2)14-11(15)9-7(12)4-5-8(13)10(9)16-3/h4-6H,1-3H3,(H,14,15)
InChIKey
SQYLWPGMNWVPNL-UHFFFAOYSA-N
Compound name
3,6-dichloro-2-methoxy-N-propan-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

261.03235 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.03963 153.2
[M+Na]+ 284.02157 162.6
[M-H]- 260.02507 156.8
[M+NH4]+ 279.06617 171.6
[M+K]+ 299.99551 158.1
[M+H-H2O]+ 244.02961 149.3
[M+HCOO]- 306.03055 167.3
[M+CH3COO]- 320.04620 198.2
[M+Na-2H]- 282.00702 154.9
[M]+ 261.03180 158.3
[M]- 261.03290 158.3
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.