CID 82539898

N-cyclopropyl-3,5-difluoroaniline

Structural Information

Molecular Formula
C9H9F2N
SMILES
C1CC1NC2=CC(=CC(=C2)F)F
InChI
InChI=1S/C9H9F2N/c10-6-3-7(11)5-9(4-6)12-8-1-2-8/h3-5,8,12H,1-2H2
InChIKey
ZBSYWQFSAXGDBQ-UHFFFAOYSA-N
Compound name
N-cyclopropyl-3,5-difluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.07031 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07759 125.6
[M+Na]+ 192.05953 135.9
[M-H]- 168.06303 131.2
[M+NH4]+ 187.10413 141.3
[M+K]+ 208.03347 132.2
[M+H-H2O]+ 152.06757 117.6
[M+HCOO]- 214.06851 149.8
[M+CH3COO]- 228.08416 185.6
[M+Na-2H]- 190.04498 132.6
[M]+ 169.06976 124.6
[M]- 169.07086 124.6
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.