CID 97539813

3108-02-9

Structural Information

Molecular Formula
C8H8FNO3
SMILES
CC1=CC(=C(C=C1[N+](=O)[O-])OC)F
InChI
InChI=1S/C8H8FNO3/c1-5-3-6(9)8(13-2)4-7(5)10(11)12/h3-4H,1-2H3
InChIKey
SLHIHMKCWVOTOZ-UHFFFAOYSA-N
Compound name
1-fluoro-2-methoxy-5-methyl-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

185.04883 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.05611 133.0
[M+Na]+ 208.03805 142.5
[M-H]- 184.04155 136.4
[M+NH4]+ 203.08265 152.7
[M+K]+ 224.01199 137.2
[M+H-H2O]+ 168.04609 131.4
[M+HCOO]- 230.04703 158.3
[M+CH3COO]- 244.06268 177.8
[M+Na-2H]- 206.02350 140.0
[M]+ 185.04828 132.9
[M]- 185.04938 132.9
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