CID 214677

33672-14-9

Structural Information

Molecular Formula
C15H13ClN2
SMILES
CC(C#N)(C1=CC=CC=C1)C2=C(C=C(C=C2)N)Cl
InChI
InChI=1S/C15H13ClN2/c1-15(10-17,11-5-3-2-4-6-11)13-8-7-12(18)9-14(13)16/h2-9H,18H2,1H3
InChIKey
CRLLILZMYVHZAQ-UHFFFAOYSA-N
Compound name
2-(4-amino-2-chlorophenyl)-2-phenylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.07672 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08400 166.7
[M+Na]+ 279.06594 177.6
[M-H]- 255.06944 171.7
[M+NH4]+ 274.11054 182.2
[M+K]+ 295.03988 169.9
[M+H-H2O]+ 239.07398 154.0
[M+HCOO]- 301.07492 181.6
[M+CH3COO]- 315.09057 207.4
[M+Na-2H]- 277.05139 170.8
[M]+ 256.07617 161.5
[M]- 256.07727 161.5
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.