CID 11951847

2-fluoro-n-methyl-4-nitroaniline

Structural Information

Molecular Formula
C7H7FN2O2
SMILES
CNC1=C(C=C(C=C1)[N+](=O)[O-])F
InChI
InChI=1S/C7H7FN2O2/c1-9-7-3-2-5(10(11)12)4-6(7)8/h2-4,9H,1H3
InChIKey
QOMGYYDCVLVQOT-UHFFFAOYSA-N
Compound name
2-fluoro-N-methyl-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

170.04915 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.056426 128.9
[M+Na]+ 193.038368 137.0
[M-H]- 169.041874 131.9
[M+NH4]+ 188.082973 148.5
[M+K]+ 209.012308 131.4
[M+H-H2O]+ 153.046410 127.0
[M+HCOO]- 215.047351 155.3
[M+CH3COO]- 229.063001 176.2
[M+Na-2H]- 191.023816 137.3
[M]+ 170.04860142 125.9
[M]- 170.04969858 125.9
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