CID 165675459

2731015-02-2

Structural Information

Molecular Formula
C12H19F2NO3
SMILES
CC(C)(C)OC(=O)NC1(CCC(CC1)(F)F)C=O
InChI
InChI=1S/C12H19F2NO3/c1-10(2,3)18-9(17)15-11(8-16)4-6-12(13,14)7-5-11/h8H,4-7H2,1-3H3,(H,15,17)
InChIKey
BBTUYHKBBZXYJQ-UHFFFAOYSA-N
Compound name
tert-butyl N-(4,4-difluoro-1-formylcyclohexyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1333 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14058 156.4
[M+Na]+ 286.12252 162.4
[M-H]- 262.12602 156.9
[M+NH4]+ 281.16712 176.8
[M+K]+ 302.09646 161.6
[M+H-H2O]+ 246.13056 151.0
[M+HCOO]- 308.13150 173.0
[M+CH3COO]- 322.14715 195.8
[M+Na-2H]- 284.10797 161.1
[M]+ 263.13275 152.8
[M]- 263.13385 152.8
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

No patent data available for this compound.