CID 28445268

Butyl[(2,4-difluorophenyl)methyl]amine

Structural Information

Molecular Formula
C11H15F2N
SMILES
CCCCNCC1=C(C=C(C=C1)F)F
InChI
InChI=1S/C11H15F2N/c1-2-3-6-14-8-9-4-5-10(12)7-11(9)13/h4-5,7,14H,2-3,6,8H2,1H3
InChIKey
LZTNOHUQFIXMEI-UHFFFAOYSA-N
Compound name
N-[(2,4-difluorophenyl)methyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

199.11725 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.124526 141.8
[M+Na]+ 222.106468 149.5
[M-H]- 198.109974 142.8
[M+NH4]+ 217.151073 161.3
[M+K]+ 238.080408 146.2
[M+H-H2O]+ 182.114510 134.0
[M+HCOO]- 244.115451 164.6
[M+CH3COO]- 258.131101 190.0
[M+Na-2H]- 220.091916 146.6
[M]+ 199.11670142 140.1
[M]- 199.11779858 140.1
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