CID 137951602

4-(4-chloro-1,1-difluorobutan-2-yl)morpholine

Structural Information

Molecular Formula
C8H14ClF2NO
SMILES
C1COCCN1C(CCCl)C(F)F
InChI
InChI=1S/C8H14ClF2NO/c9-2-1-7(8(10)11)12-3-5-13-6-4-12/h7-8H,1-6H2
InChIKey
LUQGQAFRWORCGE-UHFFFAOYSA-N
Compound name
4-(4-chloro-1,1-difluorobutan-2-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.0732 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08048 143.8
[M+Na]+ 236.06242 148.8
[M-H]- 212.06592 142.6
[M+NH4]+ 231.10702 160.1
[M+K]+ 252.03636 147.2
[M+H-H2O]+ 196.07046 135.9
[M+HCOO]- 258.07140 153.6
[M+CH3COO]- 272.08705 185.0
[M+Na-2H]- 234.04787 146.3
[M]+ 213.07265 139.9
[M]- 213.07375 139.9
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.