CID 51953

N-(1,2-dichloro-2,2-diphenylethylidene)-4-(methylsulfonyl)aniline

Structural Information

Molecular Formula
C21H17Cl2NO2S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)N=C(C(C2=CC=CC=C2)(C3=CC=CC=C3)Cl)Cl
InChI
InChI=1S/C21H17Cl2NO2S/c1-27(25,26)19-14-12-18(13-15-19)24-20(22)21(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15H,1H3
InChIKey
DTQUEMDAYKRRSG-UHFFFAOYSA-N
Compound name
2-chloro-N-(4-methylsulfonylphenyl)-2,2-diphenylethanimidoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.0357 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.04298 195.1
[M+Na]+ 440.02492 202.9
[M-H]- 416.02842 205.4
[M+NH4]+ 435.06952 207.1
[M+K]+ 455.99886 195.3
[M+H-H2O]+ 400.03296 187.4
[M+HCOO]- 462.03390 203.2
[M+CH3COO]- 476.04955 221.2
[M+Na-2H]- 438.01037 198.9
[M]+ 417.03515 200.5
[M]- 417.03625 200.5
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.