CID 21115351

Oqiurbpagagmnb-uhfffaoysa-n

Structural Information

Molecular Formula
C21H14Cl3N
SMILES
C1=CC(=CC=C1CC(C#N)(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)Cl
InChI
InChI=1S/C21H14Cl3N/c22-18-7-1-15(2-8-18)13-21(14-25,16-3-9-19(23)10-4-16)17-5-11-20(24)12-6-17/h1-12H,13H2
InChIKey
OQIURBPAGAGMNB-UHFFFAOYSA-N
Compound name
2,2,3-tris(4-chlorophenyl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.0192 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.026476 195.3
[M+Na]+ 408.008418 207.7
[M-H]- 384.011924 200.8
[M+NH4]+ 403.053023 206.9
[M+K]+ 423.982358 195.7
[M+H-H2O]+ 368.016460 182.1
[M+HCOO]- 430.017401 199.7
[M+CH3COO]- 444.033051 203.2
[M+Na-2H]- 405.993866 196.6
[M]+ 385.01865142 193.5
[M]- 385.01974858 193.5
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.