CID 2774110

3-(difluoromethoxy)aniline

Structural Information

Molecular Formula
C7H7F2NO
SMILES
C1=CC(=CC(=C1)OC(F)F)N
InChI
InChI=1S/C7H7F2NO/c8-7(9)11-6-3-1-2-5(10)4-6/h1-4,7H,10H2
InChIKey
RSOFZRXRIPVBBM-UHFFFAOYSA-N
Compound name
3-(difluoromethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

487
Patents

159.04958 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.056856 127.7
[M+Na]+ 182.038798 135.8
[M-H]- 158.042304 128.6
[M+NH4]+ 177.083403 148.0
[M+K]+ 198.012738 134.1
[M+H-H2O]+ 142.046840 120.3
[M+HCOO]- 204.047781 150.4
[M+CH3COO]- 218.063431 178.9
[M+Na-2H]- 180.024246 133.1
[M]+ 159.04903142 123.9
[M]- 159.05012858 123.9
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