CID 737363

4-(difluoromethoxy)aniline

Structural Information

Molecular Formula
C7H7F2NO
SMILES
C1=CC(=CC=C1N)OC(F)F
InChI
InChI=1S/C7H7F2NO/c8-7(9)11-6-3-1-5(10)2-4-6/h1-4,7H,10H2
InChIKey
NDEZTSHWEPQVBX-UHFFFAOYSA-N
Compound name
4-(difluoromethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1074
Patents

159.04958 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.05686 127.7
[M+Na]+ 182.03880 135.8
[M-H]- 158.04230 128.6
[M+NH4]+ 177.08340 148.0
[M+K]+ 198.01274 134.1
[M+H-H2O]+ 142.04684 120.3
[M+HCOO]- 204.04778 150.4
[M+CH3COO]- 218.06343 178.9
[M+Na-2H]- 180.02425 133.1
[M]+ 159.04903 123.9
[M]- 159.05013 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