CID 28938369

3-chloro-4-fluoro-n-(2-methylpropyl)aniline

Structural Information

Molecular Formula
C10H13ClFN
SMILES
CC(C)CNC1=CC(=C(C=C1)F)Cl
InChI
InChI=1S/C10H13ClFN/c1-7(2)6-13-8-3-4-10(12)9(11)5-8/h3-5,7,13H,6H2,1-2H3
InChIKey
LRTQWWFHBXLCSZ-UHFFFAOYSA-N
Compound name
3-chloro-4-fluoro-N-(2-methylpropyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.07205 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.07933 141.1
[M+Na]+ 224.06127 149.7
[M-H]- 200.06477 143.5
[M+NH4]+ 219.10587 161.3
[M+K]+ 240.03521 145.4
[M+H-H2O]+ 184.06931 135.4
[M+HCOO]- 246.07025 159.7
[M+CH3COO]- 260.08590 188.8
[M+Na-2H]- 222.04672 145.3
[M]+ 201.07150 141.6
[M]- 201.07260 141.6
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.