CID 241026

4-chloro-n,n-diisopropylbenzamide

Structural Information

Molecular Formula
C13H18ClNO
SMILES
CC(C)N(C(C)C)C(=O)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C13H18ClNO/c1-9(2)15(10(3)4)13(16)11-5-7-12(14)8-6-11/h5-10H,1-4H3
InChIKey
MGPPJDHMGGQMSG-UHFFFAOYSA-N
Compound name
4-chloro-N,N-di(propan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

239.1077 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11498 154.2
[M+Na]+ 262.09692 160.6
[M-H]- 238.10042 159.0
[M+NH4]+ 257.14152 173.2
[M+K]+ 278.07086 158.3
[M+H-H2O]+ 222.10496 148.7
[M+HCOO]- 284.10590 172.0
[M+CH3COO]- 298.12155 199.7
[M+Na-2H]- 260.08237 155.0
[M]+ 239.10715 157.5
[M]- 239.10825 157.5
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

patents stripe