CID 51954

73637-07-7

Structural Information

Molecular Formula
C20H14Cl2N2O2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=NC3=CC=C(C=C3)[N+](=O)[O-])Cl)Cl
InChI
InChI=1S/C20H14Cl2N2O2/c21-19(23-17-11-13-18(14-12-17)24(25)26)20(22,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14H
InChIKey
MHEVPAXFIPWKCZ-UHFFFAOYSA-N
Compound name
2-chloro-N-(4-nitrophenyl)-2,2-diphenylethanimidoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.04324 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.05052 190.3
[M+Na]+ 407.03246 195.0
[M-H]- 383.03596 199.2
[M+NH4]+ 402.07706 201.4
[M+K]+ 423.00640 184.5
[M+H-H2O]+ 367.04050 186.2
[M+HCOO]- 429.04144 204.9
[M+CH3COO]- 443.05709 213.3
[M+Na-2H]- 405.01791 196.4
[M]+ 384.04269 191.3
[M]- 384.04379 191.3
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