CID 45791578

3,5-difluoro-4-(pyrrolidin-1-yl)aniline

Structural Information

Molecular Formula
C10H12F2N2
SMILES
C1CCN(C1)C2=C(C=C(C=C2F)N)F
InChI
InChI=1S/C10H12F2N2/c11-8-5-7(13)6-9(12)10(8)14-3-1-2-4-14/h5-6H,1-4,13H2
InChIKey
BYXVCGIKBCSCLE-UHFFFAOYSA-N
Compound name
3,5-difluoro-4-pyrrolidin-1-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.09685 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.10413 139.8
[M+Na]+ 221.08607 148.1
[M-H]- 197.08957 142.4
[M+NH4]+ 216.13067 159.3
[M+K]+ 237.06001 144.3
[M+H-H2O]+ 181.09411 131.1
[M+HCOO]- 243.09505 160.4
[M+CH3COO]- 257.11070 186.2
[M+Na-2H]- 219.07152 141.6
[M]+ 198.09630 133.2
[M]- 198.09740 133.2
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.