CID 115013529

2253632-14-1

Structural Information

Molecular Formula
C9H9F2N
SMILES
C1C(C1(F)F)C2=CC=C(C=C2)N
InChI
InChI=1S/C9H9F2N/c10-9(11)5-8(9)6-1-3-7(12)4-2-6/h1-4,8H,5,12H2
InChIKey
OXFBPXHMFTUVOO-UHFFFAOYSA-N
Compound name
4-(2,2-difluorocyclopropyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

169.07031 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07759 126.3
[M+Na]+ 192.05953 137.4
[M-H]- 168.06303 131.8
[M+NH4]+ 187.10413 143.7
[M+K]+ 208.03347 134.2
[M+H-H2O]+ 152.06757 119.4
[M+HCOO]- 214.06851 149.5
[M+CH3COO]- 228.08416 184.5
[M+Na-2H]- 190.04498 133.2
[M]+ 169.06976 124.8
[M]- 169.07086 124.8
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