CID 39870397

2-(difluoromethoxy)-4-nitroaniline

Structural Information

Molecular Formula
C7H6F2N2O3
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])OC(F)F)N
InChI
InChI=1S/C7H6F2N2O3/c8-7(9)14-6-3-4(11(12)13)1-2-5(6)10/h1-3,7H,10H2
InChIKey
HAPKGVHPTPDQFC-UHFFFAOYSA-N
Compound name
2-(difluoromethoxy)-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.03465 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04193 134.5
[M+Na]+ 227.02387 142.3
[M-H]- 203.02737 135.6
[M+NH4]+ 222.06847 152.3
[M+K]+ 242.99781 136.8
[M+H-H2O]+ 187.03191 131.5
[M+HCOO]- 249.03285 158.5
[M+CH3COO]- 263.04850 181.1
[M+Na-2H]- 225.00932 140.3
[M]+ 204.03410 130.1
[M]- 204.03520 130.1
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

No patent data available for this compound.