CID 3024731

N,n-dibutyl-2-chloro-4-nitroaniline

Structural Information

Molecular Formula
C14H21ClN2O2
SMILES
CCCCN(CCCC)C1=C(C=C(C=C1)[N+](=O)[O-])Cl
InChI
InChI=1S/C14H21ClN2O2/c1-3-5-9-16(10-6-4-2)14-8-7-12(17(18)19)11-13(14)15/h7-8,11H,3-6,9-10H2,1-2H3
InChIKey
QMRCMQGZXWYYIP-UHFFFAOYSA-N
Compound name
N,N-dibutyl-2-chloro-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.12915 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.136426 168.7
[M+Na]+ 307.118368 174.3
[M-H]- 283.121874 172.8
[M+NH4]+ 302.162973 185.1
[M+K]+ 323.092308 167.0
[M+H-H2O]+ 267.126410 167.0
[M+HCOO]- 329.127351 189.6
[M+CH3COO]- 343.143001 202.2
[M+Na-2H]- 305.103816 172.3
[M]+ 284.12860142 172.6
[M]- 284.12969858 172.6
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.