CID 53401070

3,3-difluorocyclohexan-1-amine hydrochloride

Structural Information

Molecular Formula
C6H11F2N
SMILES
C1CC(CC(C1)(F)F)N
InChI
InChI=1S/C6H11F2N/c7-6(8)3-1-2-5(9)4-6/h5H,1-4,9H2
InChIKey
VAQNIUDWPOLHBT-UHFFFAOYSA-N
Compound name
3,3-difluorocyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

135.08595 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.09323 125.0
[M+Na]+ 158.07517 131.6
[M-H]- 134.07867 125.3
[M+NH4]+ 153.11977 148.2
[M+K]+ 174.04911 130.2
[M+H-H2O]+ 118.08321 118.8
[M+HCOO]- 180.08415 144.4
[M+CH3COO]- 194.09980 173.6
[M+Na-2H]- 156.06062 130.2
[M]+ 135.08540 116.0
[M]- 135.08650 116.0
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