CID 2774662

4-fluoro-2-nitro-n-methylaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

148
Patents

170.04915 Da
Monoisotopic Mass

2.5
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

literature stripe

Patent stripe

patents stripe