CID 165767012

2385480-98-6

Structural Information

Molecular Formula
C10H12ClFN2O2
SMILES
CC(C)(C)OC(=O)NC1=CC(=NC=C1Cl)F
InChI
InChI=1S/C10H12ClFN2O2/c1-10(2,3)16-9(15)14-7-4-8(12)13-5-6(7)11/h4-5H,1-3H3,(H,13,14,15)
InChIKey
HBKFZEYSRHKVRS-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-chloro-2-fluoropyridin-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.05713 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.06441 150.8
[M+Na]+ 269.04635 160.2
[M-H]- 245.04985 152.4
[M+NH4]+ 264.09095 168.1
[M+K]+ 285.02029 156.9
[M+H-H2O]+ 229.05439 144.3
[M+HCOO]- 291.05533 167.3
[M+CH3COO]- 305.07098 193.0
[M+Na-2H]- 267.03180 155.9
[M]+ 246.05658 153.3
[M]- 246.05768 153.3
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.