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

18
Patents

242.04582 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.053096 150.1
[M+Na]+ 265.035038 157.1
[M-H]- 241.038544 153.8
[M+NH4]+ 260.079643 167.4
[M+K]+ 281.008978 150.3
[M+H-H2O]+ 225.043080 149.8
[M+HCOO]- 287.044021 170.4
[M+CH3COO]- 301.059671 188.3
[M+Na-2H]- 263.020486 154.5
[M]+ 242.04527142 150.7
[M]- 242.04636858 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