CID 297476

18982-43-9

Structural Information

Molecular Formula
C9H8ClNO2
SMILES
CC(=CC1=CC=CC=C1Cl)[N+](=O)[O-]
InChI
InChI=1S/C9H8ClNO2/c1-7(11(12)13)6-8-4-2-3-5-9(8)10/h2-6H,1H3
InChIKey
FCXHCITVQOIVMI-UHFFFAOYSA-N
Compound name
1-chloro-2-(2-nitroprop-1-enyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

197.02435 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.031626 139.6
[M+Na]+ 220.013568 147.4
[M-H]- 196.017074 143.1
[M+NH4]+ 215.058173 159.0
[M+K]+ 235.987508 139.9
[M+H-H2O]+ 180.021610 139.7
[M+HCOO]- 242.022551 160.0
[M+CH3COO]- 256.038201 176.7
[M+Na-2H]- 217.999016 145.8
[M]+ 197.02380142 139.5
[M]- 197.02489858 139.5
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

patents stripe