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

48
Patents

181.05391 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.061186 134.7
[M+Na]+ 204.043128 142.1
[M-H]- 180.046634 137.2
[M+NH4]+ 199.087733 153.9
[M+K]+ 220.017068 136.0
[M+H-H2O]+ 164.051170 132.9
[M+HCOO]- 226.052111 158.7
[M+CH3COO]- 240.067761 175.6
[M+Na-2H]- 202.028576 141.1
[M]+ 181.05336142 131.4
[M]- 181.05445858 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