CID 194864

110483-06-2

Structural Information

Molecular Formula
C6H10F2N2
SMILES
C#CC(CC(CN)(F)F)N
InChI
InChI=1S/C6H10F2N2/c1-2-5(10)3-6(7,8)4-9/h1,5H,3-4,9-10H2
InChIKey
QSJHCTOZEMYUJJ-UHFFFAOYSA-N
Compound name
2,2-difluorohex-5-yne-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

148.0812 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.08848 130.6
[M+Na]+ 171.07042 138.2
[M-H]- 147.07392 126.8
[M+NH4]+ 166.11502 148.3
[M+K]+ 187.04436 136.8
[M+H-H2O]+ 131.07846 118.3
[M+HCOO]- 193.07940 145.1
[M+CH3COO]- 207.09505 188.7
[M+Na-2H]- 169.05587 133.3
[M]+ 148.08065 119.1
[M]- 148.08175 119.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe