CID 795733

4-chloro-3-nitro-n-(propan-2-yl)benzamide

Structural Information

Molecular Formula
C10H11ClN2O3
SMILES
CC(C)NC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C10H11ClN2O3/c1-6(2)12-10(14)7-3-4-8(11)9(5-7)13(15)16/h3-6H,1-2H3,(H,12,14)
InChIKey
VJCNHNOAONXMRF-UHFFFAOYSA-N
Compound name
4-chloro-3-nitro-N-propan-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

242.04582 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.05310 150.1
[M+Na]+ 265.03504 157.1
[M-H]- 241.03854 153.8
[M+NH4]+ 260.07964 167.4
[M+K]+ 281.00898 150.3
[M+H-H2O]+ 225.04308 149.8
[M+HCOO]- 287.04402 170.4
[M+CH3COO]- 301.05967 188.3
[M+Na-2H]- 263.02049 154.5
[M]+ 242.04527 150.7
[M]- 242.04637 150.7
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