CID 58046455

1909288-26-1

Structural Information

Molecular Formula
C6H11F2NO
SMILES
C1C[C@H]([C@@H](C(C1)(F)F)O)N
InChI
InChI=1S/C6H11F2NO/c7-6(8)3-1-2-4(9)5(6)10/h4-5,10H,1-3,9H2/t4-,5+/m1/s1
InChIKey
YELVGYMNGIHCKI-UHNVWZDZSA-N
Compound name
(1S,6R)-6-amino-2,2-difluorocyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

151.08087 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.08815 128.2
[M+Na]+ 174.07009 135.4
[M-H]- 150.07359 127.5
[M+NH4]+ 169.11469 150.4
[M+K]+ 190.04403 133.5
[M+H-H2O]+ 134.07813 122.5
[M+HCOO]- 196.07907 146.3
[M+CH3COO]- 210.09472 174.2
[M+Na-2H]- 172.05554 132.3
[M]+ 151.08032 119.2
[M]- 151.08142 119.2
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