CID 20154041

2-fluoro-1,5-dimethyl-3-nitrobenzene

Structural Information

Molecular Formula
C8H8FNO2
SMILES
CC1=CC(=C(C(=C1)[N+](=O)[O-])F)C
InChI
InChI=1S/C8H8FNO2/c1-5-3-6(2)8(9)7(4-5)10(11)12/h3-4H,1-2H3
InChIKey
QOMYCNBCBLXUSX-UHFFFAOYSA-N
Compound name
2-fluoro-1,5-dimethyl-3-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

169.05391 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.06119 129.5
[M+Na]+ 192.04313 139.2
[M-H]- 168.04663 133.0
[M+NH4]+ 187.08773 150.0
[M+K]+ 208.01707 133.5
[M+H-H2O]+ 152.05117 128.3
[M+HCOO]- 214.05211 154.7
[M+CH3COO]- 228.06776 175.7
[M+Na-2H]- 190.02858 136.5
[M]+ 169.05336 128.2
[M]- 169.05446 128.2
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