CID 934620

2-(difluoromethoxy)aniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

454
Patents

159.04958 Da
Monoisotopic Mass

2.1
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

No literature data available for this compound.

Patent stripe

patents stripe