CID 5371949

775-31-5

Structural Information

Molecular Formula
C9H8FNO2
SMILES
C/C(=C\C1=CC=C(C=C1)F)/[N+](=O)[O-]
InChI
InChI=1S/C9H8FNO2/c1-7(11(12)13)6-8-2-4-9(10)5-3-8/h2-6H,1H3/b7-6+
InChIKey
VOAXWARMFBBINZ-VOTSOKGWSA-N
Compound name
1-fluoro-4-[(E)-2-nitroprop-1-enyl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

44
Patents

181.05391 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.06119 133.7
[M+Na]+ 204.04313 146.4
[M+NH4]+ 199.08773 141.6
[M+K]+ 220.01707 142.8
[M-H]- 180.04663 135.6
[M+Na-2H]- 202.02858 139.9
[M]+ 181.05336 135.8
[M]- 181.05446 135.8
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