CID 13053

775-31-5

Structural Information

Molecular Formula
C9H8FNO2
SMILES
CC(=CC1=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
InChIKey
VOAXWARMFBBINZ-UHFFFAOYSA-N
Compound name
1-fluoro-4-(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 134.7
[M+Na]+ 204.04313 142.1
[M-H]- 180.04663 137.2
[M+NH4]+ 199.08773 153.9
[M+K]+ 220.01707 136.0
[M+H-H2O]+ 164.05117 132.9
[M+HCOO]- 226.05211 158.7
[M+CH3COO]- 240.06776 175.6
[M+Na-2H]- 202.02858 141.1
[M]+ 181.05336 131.4
[M]- 181.05446 131.4
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