CID 89127825

4-(3,3-difluoropyrrolidin-1-yl)aniline

Structural Information

Molecular Formula
C10H12F2N2
SMILES
C1CN(CC1(F)F)C2=CC=C(C=C2)N
InChI
InChI=1S/C10H12F2N2/c11-10(12)5-6-14(7-10)9-3-1-8(13)2-4-9/h1-4H,5-7,13H2
InChIKey
VZORDAIBQARJHN-UHFFFAOYSA-N
Compound name
4-(3,3-difluoropyrrolidin-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

198.09685 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.10413 139.0
[M+Na]+ 221.08607 147.4
[M-H]- 197.08957 141.7
[M+NH4]+ 216.13067 160.3
[M+K]+ 237.06001 143.8
[M+H-H2O]+ 181.09411 130.7
[M+HCOO]- 243.09505 159.8
[M+CH3COO]- 257.11070 184.6
[M+Na-2H]- 219.07152 142.7
[M]+ 198.09630 132.3
[M]- 198.09740 132.3
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