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

17
Patents

170.04915 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05643 128.9
[M+Na]+ 193.03837 137.0
[M-H]- 169.04187 131.9
[M+NH4]+ 188.08297 148.5
[M+K]+ 209.01231 131.4
[M+H-H2O]+ 153.04641 127.0
[M+HCOO]- 215.04735 155.3
[M+CH3COO]- 229.06300 176.2
[M+Na-2H]- 191.02382 137.3
[M]+ 170.04860 125.9
[M]- 170.04970 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