CID 1484888

(e)-3-amino-3-(4-chlorophenyl)-2-propenenitrile

Structural Information

Molecular Formula
C9H7ClN2
SMILES
C1=CC(=CC=C1C(=CC#N)N)Cl
InChI
InChI=1S/C9H7ClN2/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-5H,12H2
InChIKey
KJYOCBARUBWAHD-UHFFFAOYSA-N
Compound name
3-amino-3-(4-chlorophenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

178.02977 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.03705 137.9
[M+Na]+ 201.01899 150.2
[M+NH4]+ 196.06359 143.3
[M+K]+ 216.99293 140.2
[M-H]- 177.02249 133.3
[M+Na-2H]- 199.00444 142.3
[M]+ 178.02922 137.7
[M]- 178.03032 137.7
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

patents stripe