CID 71755776

(1s)-1-[2-(difluoromethoxy)-4-fluorophenyl]ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H10F3NO
SMILES
C[C@@H](C1=C(C=C(C=C1)F)OC(F)F)N
InChI
InChI=1S/C9H10F3NO/c1-5(13)7-3-2-6(10)4-8(7)14-9(11)12/h2-5,9H,13H2,1H3/t5-/m0/s1
InChIKey
PZJJUPMUYZHXIQ-YFKPBYRVSA-N
Compound name
(1S)-1-[2-(difluoromethoxy)-4-fluorophenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.07144 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.07872 140.0
[M+Na]+ 228.06066 147.9
[M-H]- 204.06416 139.5
[M+NH4]+ 223.10526 158.6
[M+K]+ 244.03460 145.8
[M+H-H2O]+ 188.06870 131.5
[M+HCOO]- 250.06964 159.9
[M+CH3COO]- 264.08529 189.8
[M+Na-2H]- 226.04611 141.6
[M]+ 205.07089 135.4
[M]- 205.07199 135.4
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.