CID 19576811

4-(2,2-difluoroethoxy)-2-methylaniline hydrochloride

Structural Information

Molecular Formula
C9H11F2NO
SMILES
CC1=C(C=CC(=C1)OCC(F)F)N
InChI
InChI=1S/C9H11F2NO/c1-6-4-7(2-3-8(6)12)13-5-9(10)11/h2-4,9H,5,12H2,1H3
InChIKey
KXBBHEJLCXNUJC-UHFFFAOYSA-N
Compound name
4-(2,2-difluoroethoxy)-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

187.08087 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.088146 136.9
[M+Na]+ 210.070088 145.1
[M-H]- 186.073594 137.8
[M+NH4]+ 205.114693 156.4
[M+K]+ 226.044028 142.9
[M+H-H2O]+ 170.078130 129.3
[M+HCOO]- 232.079071 158.9
[M+CH3COO]- 246.094721 186.1
[M+Na-2H]- 208.055536 140.4
[M]+ 187.08032142 134.2
[M]- 187.08141858 134.2
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