CID 58317634

2703392-34-9

Structural Information

Molecular Formula
C5H10F2N2
SMILES
C1[C@H]([C@H](CC1(F)F)N)N
InChI
InChI=1S/C5H10F2N2/c6-5(7)1-3(8)4(9)2-5/h3-4H,1-2,8-9H2/t3-,4+
InChIKey
YJBRVDQGZSWPGB-ZXZARUISSA-N
Compound name
(1S,2R)-4,4-difluorocyclopentane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

136.0812 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.08848 122.5
[M+Na]+ 159.07042 130.5
[M-H]- 135.07392 122.9
[M+NH4]+ 154.11502 147.1
[M+K]+ 175.04436 128.7
[M+H-H2O]+ 119.07846 116.6
[M+HCOO]- 181.07940 144.7
[M+CH3COO]- 195.09505 175.7
[M+Na-2H]- 157.05587 125.9
[M]+ 136.08065 113.8
[M]- 136.08175 113.8
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