CID 28937858

(1-(4-(difluoromethoxy)phenyl)cyclopropyl)methanamine

Structural Information

Molecular Formula
C11H13F2NO
SMILES
C1CC1(CN)C2=CC=C(C=C2)OC(F)F
InChI
InChI=1S/C11H13F2NO/c12-10(13)15-9-3-1-8(2-4-9)11(7-14)5-6-11/h1-4,10H,5-7,14H2
InChIKey
PEJPDAMPXPCHPU-UHFFFAOYSA-N
Compound name
[1-[4-(difluoromethoxy)phenyl]cyclopropyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.09653 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.103806 139.0
[M+Na]+ 236.085748 148.0
[M-H]- 212.089254 143.7
[M+NH4]+ 231.130353 154.2
[M+K]+ 252.059688 145.2
[M+H-H2O]+ 196.093790 131.4
[M+HCOO]- 258.094731 160.8
[M+CH3COO]- 272.110381 191.9
[M+Na-2H]- 234.071196 144.3
[M]+ 213.09598142 138.6
[M]- 213.09707858 138.6
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.