CID 21149588

83783-67-9

Structural Information

Molecular Formula
C14H9ClN2O2
SMILES
C1=CC=C(C=C1)C(C#N)C2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C14H9ClN2O2/c15-14-8-11(17(18)19)6-7-12(14)13(9-16)10-4-2-1-3-5-10/h1-8,13H
InChIKey
UGUGQRBDGGRJER-UHFFFAOYSA-N
Compound name
2-(2-chloro-4-nitrophenyl)-2-phenylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.03525 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.042526 168.4
[M+Na]+ 295.024468 177.9
[M-H]- 271.027974 173.3
[M+NH4]+ 290.069073 182.4
[M+K]+ 310.998408 167.6
[M+H-H2O]+ 255.032510 159.4
[M+HCOO]- 317.033451 184.5
[M+CH3COO]- 331.049101 202.6
[M+Na-2H]- 293.009916 172.3
[M]+ 272.03470142 163.3
[M]- 272.03579858 163.3
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.