CID 41999

56795-23-4

Structural Information

Molecular Formula
C12H18ClFN2O
SMILES
CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)F)O
InChI
InChI=1S/C12H18ClFN2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3
InChIKey
SCEUZLWOPBNTIY-UHFFFAOYSA-N
Compound name
1-(4-amino-3-chloro-5-fluorophenyl)-2-(tert-butylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

260.10916 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11644 159.1
[M+Na]+ 283.09838 166.9
[M-H]- 259.10188 160.0
[M+NH4]+ 278.14298 176.0
[M+K]+ 299.07232 162.0
[M+H-H2O]+ 243.10642 153.6
[M+HCOO]- 305.10736 174.6
[M+CH3COO]- 319.12301 199.7
[M+Na-2H]- 281.08383 160.9
[M]+ 260.10861 158.0
[M]- 260.10971 158.0
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