CID 708815

1-chloro-4-(2-nitropropenyl)-benzene

Structural Information

Molecular Formula
C9H8ClNO2
SMILES
C/C(=C/C1=CC=C(C=C1)Cl)/[N+](=O)[O-]
InChI
InChI=1S/C9H8ClNO2/c1-7(11(12)13)6-8-2-4-9(10)5-3-8/h2-6H,1H3/b7-6-
InChIKey
ABSQKQKOEFDZTI-SREVYHEPSA-N
Compound name
1-chloro-4-[(Z)-2-nitroprop-1-enyl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

39
Patents

197.02435 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.03163 137.6
[M+Na]+ 220.01357 152.1
[M+NH4]+ 215.05817 146.6
[M+K]+ 235.98751 147.6
[M-H]- 196.01707 141.1
[M+Na-2H]- 217.99902 144.7
[M]+ 197.02380 140.9
[M]- 197.02490 140.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe